PubChemLite - 266359-42-6 (C24H27NO5)

Structural Information

Molecular Formula

SMILES

CC(C)(C)O[C@H]1CCN([C@@H]1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C24H27NO5/c1-24(2,3)30-20-12-13-25(21(20)22(26)27)23(28)29-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-21H,12-14H2,1-3H3,(H,26,27)/t20-,21-/m0/s1

InChIKey

DTOQXZRPBAMOGM-SFTDATJTSA-N

Compound name

(2S,3S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-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]+	410.19621	200.8
[M+Na]+	432.17815	205.9
[M-H]-	408.18165	206.7
[M+NH4]+	427.22275	214.8
[M+K]+	448.15209	202.4
[M+H-H2O]+	392.18619	194.3
[M+HCOO]-	454.18713	214.6
[M+CH3COO]-	468.20278	221.7
[M+Na-2H]-	430.16360	198.4
[M]+	409.18838	203.6
[M]-	409.18948	203.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

410.19621

200.8

[M+Na]+

432.17815

205.9

[M-H]-

408.18165

206.7

[M+NH4]+

427.22275

214.8

[M+K]+

448.15209

202.4

[M+H-H2O]+

392.18619

194.3

[M+HCOO]-

454.18713

214.6

[M+CH3COO]-

468.20278

221.7

[M+Na-2H]-

430.16360

198.4

[M]+

409.18838

203.6

[M]-

409.18948

203.6

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

266359-42-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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