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
(3aR,6aS)-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

4
Patents

155.09464 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 135.7
[M+Na]+ 178.083858 141.5
[M-H]- 154.087364 135.6
[M+NH4]+ 173.128463 158.2
[M+K]+ 194.057798 139.3
[M+H-H2O]+ 138.091900 130.6
[M+HCOO]- 200.092841 152.7
[M+CH3COO]- 214.108491 169.9
[M+Na-2H]- 176.069306 136.6
[M]+ 155.09409142 129.8
[M]- 155.09518858 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