CID 7006550

Rac-(1r,3s)-3-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C21H21NO4
SMILES
C1C[C@@H](C[C@@H]1C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO4/c23-20(24)13-9-10-14(11-13)22-21(25)26-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13-14,19H,9-12H2,(H,22,25)(H,23,24)/t13-,14+/m1/s1
InChIKey
BHDMUBZVWRSQOT-KGLIPLIRSA-N
Compound name
(1R,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

351.14706 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 182.0
[M+Na]+ 374.13628 186.7
[M-H]- 350.13978 189.0
[M+NH4]+ 369.18088 199.1
[M+K]+ 390.11022 182.4
[M+H-H2O]+ 334.14432 175.6
[M+HCOO]- 396.14526 200.8
[M+CH3COO]- 410.16091 212.3
[M+Na-2H]- 372.12173 181.2
[M]+ 351.14651 181.4
[M]- 351.14761 181.4
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

patents stripe