CID 440987

Chebi:20114

Structural Information

Molecular Formula
C10H9NO
SMILES
CC1=CC2=CC=CC=C2NC1=O
InChI
InChI=1S/C10H9NO/c1-7-6-8-4-2-3-5-9(8)11-10(7)12/h2-6H,1H3,(H,11,12)
InChIKey
POYSUXIHCXBJPN-UHFFFAOYSA-N
Compound name
3-methyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

507
Patents

159.06842 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.075696 129.4
[M+Na]+ 182.057638 139.7
[M-H]- 158.061144 132.0
[M+NH4]+ 177.102243 149.9
[M+K]+ 198.031578 135.6
[M+H-H2O]+ 142.065680 123.5
[M+HCOO]- 204.066621 151.3
[M+CH3COO]- 218.082271 143.5
[M+Na-2H]- 180.043086 138.7
[M]+ 159.06787142 128.7
[M]- 159.06896858 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

literature stripe

Patent stripe

patents stripe