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]+ 155.11789 134.7
[M+Na]+ 177.09983 141.5
[M-H]- 153.10333 134.5
[M+NH4]+ 172.14443 155.3
[M+K]+ 193.07377 138.9
[M+H-H2O]+ 137.10787 128.3
[M+HCOO]- 199.10881 150.7
[M+CH3COO]- 213.12446 173.3
[M+Na-2H]- 175.08528 137.9
[M]+ 154.11006 128.7
[M]- 154.11116 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.