CID 124509986

Rac-(3ar,6as)-octahydrocyclopenta[b]pyrrole-3a-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1C[C@@H]2[C@](C1)(CCN2)C(=O)O
InChI
InChI=1S/C8H13NO2/c10-7(11)8-3-1-2-6(8)9-5-4-8/h6,9H,1-5H2,(H,10,11)/t6-,8+/m1/s1
InChIKey
OUQOATBOHJQCRJ-SVRRBLITSA-N
Compound name
(3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]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]+ 156.101916 136.1
[M+Na]+ 178.083858 142.1
[M-H]- 154.087364 136.1
[M+NH4]+ 173.128463 160.4
[M+K]+ 194.057798 139.9
[M+H-H2O]+ 138.091900 131.5
[M+HCOO]- 200.092841 153.2
[M+CH3COO]- 214.108491 168.3
[M+Na-2H]- 176.069306 138.9
[M]+ 155.09409142 130.2
[M]- 155.09518858 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.