CID 92845012

2247105-26-4

Structural Information

Molecular Formula
C7H12N2O
SMILES
C1C[C@H]2[C@H](CNC2=O)NC1
InChI
InChI=1S/C7H12N2O/c10-7-5-2-1-3-8-6(5)4-9-7/h5-6,8H,1-4H2,(H,9,10)/t5-,6-/m0/s1
InChIKey
CRYMABXXBCKOLG-WDSKDSINSA-N
Compound name
(4aS,7aR)-1,2,3,4,4a,6,7,7a-octahydropyrrolo[3,4-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.09496 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 130.9
[M+Na]+ 163.08418 136.7
[M-H]- 139.08768 129.0
[M+NH4]+ 158.12878 150.9
[M+K]+ 179.05812 133.5
[M+H-H2O]+ 123.09222 124.5
[M+HCOO]- 185.09316 145.6
[M+CH3COO]- 199.10881 142.1
[M+Na-2H]- 161.06963 134.8
[M]+ 140.09441 122.2
[M]- 140.09551 122.2
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.