CID 132346372

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

Structural Information

Molecular Formula
C20H19NO4
SMILES
C1[C@@H]([C@@H]1C(=O)O)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C20H19NO4/c22-19(23)17-9-12(17)10-21-20(24)25-11-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-8,12,17-18H,9-11H2,(H,21,24)(H,22,23)/t12-,17-/m1/s1
InChIKey
BBKBGSJZQUDYLA-SJKOYZFVSA-N
Compound name
(1R,2S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1314 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13868 172.9
[M+Na]+ 360.12062 181.0
[M-H]- 336.12412 180.5
[M+NH4]+ 355.16522 184.5
[M+K]+ 376.09456 175.3
[M+H-H2O]+ 320.12866 166.7
[M+HCOO]- 382.12960 192.9
[M+CH3COO]- 396.14525 213.1
[M+Na-2H]- 358.10607 175.6
[M]+ 337.13085 177.7
[M]- 337.13195 177.7
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.