PubChemLite - (1r,2s)-2-((((9h-fluoren-9-yl)methoxy)carbonyl)amino)cyclohexane-1-carboxylic acid (C22H23NO4)

Structural Information

Molecular Formula

SMILES

C1CC[C@@H]([C@@H](C1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C22H23NO4/c24-21(25)18-11-5-6-12-20(18)23-22(26)27-13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-4,7-10,18-20H,5-6,11-13H2,(H,23,26)(H,24,25)/t18-,20+/m1/s1

InChIKey

NZMNDTGOODAUNI-QUCCMNQESA-N

Compound name

(1R,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	366.17000	184.7
[M+Na]+	388.15194	188.1
[M-H]-	364.15544	190.6
[M+NH4]+	383.19654	199.1
[M+K]+	404.12588	183.5
[M+H-H2O]+	348.15998	176.9
[M+HCOO]-	410.16092	200.7
[M+CH3COO]-	424.17657	215.8
[M+Na-2H]-	386.13739	185.0
[M]+	365.16217	182.0
[M]-	365.16327	182.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

366.17000

184.7

[M+Na]+

388.15194

188.1

[M-H]-

364.15544

190.6

[M+NH4]+

383.19654

199.1

[M+K]+

404.12588

183.5

[M+H-H2O]+

348.15998

176.9

[M+HCOO]-

410.16092

200.7

[M+CH3COO]-

424.17657

215.8

[M+Na-2H]-

386.13739

185.0

[M]+

365.16217

182.0

[M]-

365.16327

182.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

(1r,2s)-2-((((9h-fluoren-9-yl)methoxy)carbonyl)amino)cyclohexane-1-carboxylic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe