CID 6428980

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

Structural Information

Molecular Formula
C9H13NO
SMILES
CC1CC2=C(C1=O)NCCC2
InChI
InChI=1S/C9H13NO/c1-6-5-7-3-2-4-10-8(7)9(6)11/h6,10H,2-5H2,1H3
InChIKey
LFRLCCUBWRWDCF-UHFFFAOYSA-N
Compound name
6-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

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 132.5
[M+Na]+ 174.08894 143.2
[M+NH4]+ 169.13354 141.6
[M+K]+ 190.06288 138.8
[M-H]- 150.09244 133.6
[M+Na-2H]- 172.07439 136.1
[M]+ 151.09917 134.1
[M]- 151.10027 134.1
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.