CID 6428977

1,2,3,4,5,6-hexahydro-5-methyl-7h-cyclopenta[b]pyridin-7-one

Structural Information

Molecular Formula
C9H13NO
SMILES
CC1CC(=O)C2=C1CCCN2
InChI
InChI=1S/C9H13NO/c1-6-5-8(11)9-7(6)3-2-4-10-9/h6,10H,2-5H2,1H3
InChIKey
VLZZXKFOOXABOV-UHFFFAOYSA-N
Compound name
5-methyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 132.3
[M+Na]+ 174.088938 139.7
[M-H]- 150.092444 133.8
[M+NH4]+ 169.133543 154.5
[M+K]+ 190.062878 136.7
[M+H-H2O]+ 134.096980 126.8
[M+HCOO]- 196.097921 150.7
[M+CH3COO]- 210.113571 173.2
[M+Na-2H]- 172.074386 136.2
[M]+ 151.09917142 127.5
[M]- 151.10026858 127.5
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.