CID 11820

606-43-9

Structural Information

Molecular Formula
C10H9NO
SMILES
CN1C(=O)C=CC2=CC=CC=C21
InChI
InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
InChIKey
QYEMNJMSULGQRD-UHFFFAOYSA-N
Compound name
1-methylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

21
References

1068
Patents

159.06842 Da
Monoisotopic Mass

1.4
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

literature stripe

Patent stripe

patents stripe