CID 121604554

1989827-63-5

Structural Information

Molecular Formula
C21H19NO4
SMILES
C1[C@@H]2[C@H]1N([C@@H](C2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C21H19NO4/c23-20(24)19-10-12-9-18(12)22(19)21(25)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-19H,9-11H2,(H,23,24)/t12-,18-,19-/m0/s1
InChIKey
XOOXAQNBHBESGV-NXXSPTCGSA-N
Compound name
(1S,3S,5S)-2-(9H-fluoren-9-ylmethoxycarbonyl)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1314 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13868 183.1
[M+Na]+ 372.12062 195.9
[M+NH4]+ 367.16522 191.6
[M+K]+ 388.09456 194.2
[M-H]- 348.12412 192.4
[M+Na-2H]- 370.10607 187.7
[M]+ 349.13085 188.5
[M]- 349.13195 188.5
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.