CID 122360737

1380336-01-5

Structural Information

Molecular Formula

SMILES

CC1(C[C@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O)C

InChI

InChI=1S/C22H23NO4/c1-22(2)11-19(20(24)25)23(13-22)21(26)27-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18-19H,11-13H2,1-2H3,(H,24,25)/t19-/m0/s1

InChIKey

OUDJCOWHKHEGGK-IBGZPJMESA-N

Compound name

(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

1
Annotation Hits: 0
References: 4
Patents: 365.16272 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

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	189.0
[M+Na]+	388.15194	196.2
[M-H]-	364.15544	195.2
[M+NH4]+	383.19654	206.9
[M+K]+	404.12588	191.5
[M+H-H2O]+	348.15998	182.3
[M+HCOO]-	410.16092	205.0
[M+CH3COO]-	424.17657	213.5
[M+Na-2H]-	386.13739	187.1
[M]+	365.16217	190.6
[M]-	365.16327	190.6

Literature stripe

Patent stripe