CID 45092478

Rac-(3ar,6ar)-octahydrocyclopenta[b]pyrrol-2-one

Structural Information

Molecular Formula
C7H11NO
SMILES
C1C[C@H]2CC(=O)N[C@H]2C1
InChI
InChI=1S/C7H11NO/c9-7-4-5-2-1-3-6(5)8-7/h5-6H,1-4H2,(H,8,9)/t5-,6-/m0/s1
InChIKey
PMGSPDVTAKHCLW-WDSKDSINSA-N
Compound name
(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

125.08406 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 127.0
[M+Na]+ 148.07328 134.1
[M-H]- 124.07678 128.4
[M+NH4]+ 143.11788 151.6
[M+K]+ 164.04722 132.1
[M+H-H2O]+ 108.08132 121.9
[M+HCOO]- 170.08226 146.8
[M+CH3COO]- 184.09791 166.6
[M+Na-2H]- 146.05873 130.1
[M]+ 125.08351 121.9
[M]- 125.08461 121.9
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