CID 1519444

1212067-49-6

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1C[C@H]2CNC[C@]2(C1)C(=O)O
InChI
InChI=1S/C8H13NO2/c10-7(11)8-3-1-2-6(8)4-9-5-8/h6,9H,1-5H2,(H,10,11)/t6-,8-/m0/s1
InChIKey
JTTVKCQDFDFKRG-XPUUQOCRSA-N
Compound name
(3aR,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 136.1
[M+Na]+ 178.08386 142.1
[M-H]- 154.08736 136.1
[M+NH4]+ 173.12846 160.4
[M+K]+ 194.05780 139.9
[M+H-H2O]+ 138.09190 131.5
[M+HCOO]- 200.09284 153.2
[M+CH3COO]- 214.10849 168.3
[M+Na-2H]- 176.06931 138.9
[M]+ 155.09409 130.2
[M]- 155.09519 130.2
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.