CID 127239803

Rac-(1r,2s)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylcyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C22H23NO4
SMILES
C[C@@]1(CCC[C@H]1C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H23NO4/c1-22(12-6-11-19(22)20(24)25)23-21(26)27-13-18-16-9-4-2-7-14(16)15-8-3-5-10-17(15)18/h2-5,7-10,18-19H,6,11-13H2,1H3,(H,23,26)(H,24,25)/t19-,22-/m0/s1
InChIKey
KCDAUUVKWKWDAC-UGKGYDQZSA-N
Compound name
(1R,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.16272 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17000 187.5
[M+Na]+ 388.15194 193.0
[M-H]- 364.15544 194.6
[M+NH4]+ 383.19654 206.1
[M+K]+ 404.12588 188.4
[M+H-H2O]+ 348.15998 181.3
[M+HCOO]- 410.16092 205.9
[M+CH3COO]- 424.17657 214.7
[M+Na-2H]- 386.13739 187.3
[M]+ 365.16217 187.6
[M]- 365.16327 187.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.