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]+ 126.091336 127.0
[M+Na]+ 148.073278 134.1
[M-H]- 124.076784 128.4
[M+NH4]+ 143.117883 151.6
[M+K]+ 164.047218 132.1
[M+H-H2O]+ 108.081320 121.9
[M+HCOO]- 170.082261 146.8
[M+CH3COO]- 184.097911 166.6
[M+Na-2H]- 146.058726 130.1
[M]+ 125.08351142 121.9
[M]- 125.08460858 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