CID 122163742

1909294-37-6

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]+ 155.11789 134.6
[M+Na]+ 177.09983 144.4
[M+NH4]+ 172.14443 142.9
[M+K]+ 193.07377 140.6
[M-H]- 153.10333 134.6
[M+Na-2H]- 175.08528 137.0
[M]+ 154.11006 135.6
[M]- 154.11116 135.6
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.