CID 97295051

2445052-99-1

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1[C@@H]2CNC[C@@H]2CC1C(=O)O
InChI
InChI=1S/C8H13NO2/c10-8(11)5-1-6-3-9-4-7(6)2-5/h5-7,9H,1-4H2,(H,10,11)/t5?,6-,7+
InChIKey
XJFXVZKUPVAERR-DGUCWDHESA-N
Compound name
(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

155.09464 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 135.7
[M+Na]+ 178.08386 141.5
[M-H]- 154.08736 135.6
[M+NH4]+ 173.12846 158.2
[M+K]+ 194.05780 139.3
[M+H-H2O]+ 138.09190 130.6
[M+HCOO]- 200.09284 152.7
[M+CH3COO]- 214.10849 169.9
[M+Na-2H]- 176.06931 136.6
[M]+ 155.09409 129.8
[M]- 155.09519 129.8
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