CID 165937940

(3ar,5r,6as)-2-acetyl-octahydrocyclopenta[c]pyrrole-5-carboxylic acid

Structural Information

Molecular Formula
C10H15NO3
SMILES
CC(=O)N1C[C@H]2CC(C[C@H]2C1)C(=O)O
InChI
InChI=1S/C10H15NO3/c1-6(12)11-4-8-2-7(10(13)14)3-9(8)5-11/h7-9H,2-5H2,1H3,(H,13,14)/t7?,8-,9+
InChIKey
ADFNGBSOWDDVIA-CBLAIPOGSA-N
Compound name
(3aS,6aR)-2-acetyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.1052 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 145.9
[M+Na]+ 220.09442 152.2
[M-H]- 196.09792 147.4
[M+NH4]+ 215.13902 167.6
[M+K]+ 236.06836 150.7
[M+H-H2O]+ 180.10246 140.9
[M+HCOO]- 242.10340 163.2
[M+CH3COO]- 256.11905 181.1
[M+Na-2H]- 218.07987 144.6
[M]+ 197.10465 143.0
[M]- 197.10575 143.0
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.