CID 10176252

1-methyl-1,7-dihydroquinolin-7-one

Structural Information

Molecular Formula
C10H9NO
SMILES
CN1C=CC=C2C1=CC(=O)C=C2
InChI
InChI=1S/C10H9NO/c1-11-6-2-3-8-4-5-9(12)7-10(8)11/h2-7H,1H3
InChIKey
CLWHNSXKDOCYJS-UHFFFAOYSA-N
Compound name
1-methylquinolin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.06842 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.075696 128.7
[M+Na]+ 182.057638 139.5
[M-H]- 158.061144 132.7
[M+NH4]+ 177.102243 149.9
[M+K]+ 198.031578 136.3
[M+H-H2O]+ 142.065680 122.4
[M+HCOO]- 204.066621 152.1
[M+CH3COO]- 218.082271 177.9
[M+Na-2H]- 180.043086 138.5
[M]+ 159.06787142 129.9
[M]- 159.06896858 129.9
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.