CID 40429721

N-fmoc-(+/-)cis (exo)-3-amino-bicyclo[2.2.1]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C23H23NO4
SMILES
C1C[C@@H]2C[C@H]1[C@H]([C@H]2NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C23H23NO4/c25-22(26)20-13-9-10-14(11-13)21(20)24-23(27)28-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13-14,19-21H,9-12H2,(H,24,27)(H,25,26)/t13-,14+,20+,21-/m0/s1
InChIKey
RAQPAPMBITVVOX-HLNGLMCHSA-N
Compound name
(1S,2R,3S,4R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.16272 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.17000 188.3
[M+Na]+ 400.15194 193.1
[M-H]- 376.15544 195.2
[M+NH4]+ 395.19654 207.7
[M+K]+ 416.12588 188.4
[M+H-H2O]+ 360.15998 183.7
[M+HCOO]- 422.16092 205.1
[M+CH3COO]- 436.17657 197.8
[M+Na-2H]- 398.13739 185.9
[M]+ 377.16217 189.0
[M]- 377.16327 189.0
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.