CID 77673

4053-35-4

Structural Information

Molecular Formula
C10H9NO
SMILES
CC1=CC2=C(C=C1)C=CC(=O)N2
InChI
InChI=1S/C10H9NO/c1-7-2-3-8-4-5-10(12)11-9(8)6-7/h2-6H,1H3,(H,11,12)
InChIKey
QLVPBCMPYVAWEW-UHFFFAOYSA-N
Compound name
7-methyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

208
Patents

159.06842 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 129.4
[M+Na]+ 182.05764 139.7
[M-H]- 158.06114 132.0
[M+NH4]+ 177.10224 149.9
[M+K]+ 198.03158 135.6
[M+H-H2O]+ 142.06568 123.5
[M+HCOO]- 204.06662 151.3
[M+CH3COO]- 218.08227 143.5
[M+Na-2H]- 180.04309 138.7
[M]+ 159.06787 128.7
[M]- 159.06897 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