CID 122163742

Rac-(4ar,7as)-6-methyl-octahydro-1h-pyrrolo[3,4-b]pyridin-5-one

Structural Information

Molecular Formula
C8H14N2O
SMILES
CN1C[C@H]2[C@@H](C1=O)CCCN2
InChI
InChI=1S/C8H14N2O/c1-10-5-7-6(8(10)11)3-2-4-9-7/h6-7,9H,2-5H2,1H3/t6-,7-/m0/s1
InChIKey
UOYAAMWAJPWIIL-BQBZGAKWSA-N
Compound name
(4aS,7aR)-6-methyl-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.11061 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.117886 134.7
[M+Na]+ 177.099828 141.5
[M-H]- 153.103334 134.5
[M+NH4]+ 172.144433 155.3
[M+K]+ 193.073768 138.9
[M+H-H2O]+ 137.107870 128.3
[M+HCOO]- 199.108811 150.7
[M+CH3COO]- 213.124461 173.3
[M+Na-2H]- 175.085276 137.9
[M]+ 154.11006142 128.7
[M]- 154.11115858 128.7
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.