CID 121604554

1932109-93-7

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]+ 350.138676 180.9
[M+Na]+ 372.120618 190.2
[M-H]- 348.124124 188.2
[M+NH4]+ 367.165223 193.6
[M+K]+ 388.094558 183.5
[M+H-H2O]+ 332.128660 175.3
[M+HCOO]- 394.129601 196.7
[M+CH3COO]- 408.145251 190.9
[M+Na-2H]- 370.106066 180.2
[M]+ 349.13085142 185.4
[M]- 349.13194858 185.4
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

No patent data available for this compound.