CID 289262

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

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1=CC(=O)NC2=C1CCC2
InChI
InChI=1S/C9H11NO/c1-6-5-9(11)10-8-4-2-3-7(6)8/h5H,2-4H2,1H3,(H,10,11)
InChIKey
HFLWTMZFPBSEFU-UHFFFAOYSA-N
Compound name
4-methyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

149.08406 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 128.8
[M+Na]+ 172.073278 138.3
[M-H]- 148.076784 131.1
[M+NH4]+ 167.117883 151.4
[M+K]+ 188.047218 134.9
[M+H-H2O]+ 132.081320 123.4
[M+HCOO]- 194.082261 150.2
[M+CH3COO]- 208.097911 172.5
[M+Na-2H]- 170.058726 134.8
[M]+ 149.08351142 127.0
[M]- 149.08460858 127.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe