CID 233216

2,5-dimethylquinolin-4(1h)-one

Structural Information

Molecular Formula
C11H11NO
SMILES
CC1=C2C(=CC=C1)NC(=CC2=O)C
InChI
InChI=1S/C11H11NO/c1-7-4-3-5-9-11(7)10(13)6-8(2)12-9/h3-6H,1-2H3,(H,12,13)
InChIKey
DSOBBWSUYIYTLE-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

173.08406 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09134 134.7
[M+Na]+ 196.07328 150.4
[M+NH4]+ 191.11788 144.1
[M+K]+ 212.04722 142.8
[M-H]- 172.07678 137.4
[M+Na-2H]- 194.05873 142.4
[M]+ 173.08351 137.8
[M]- 173.08461 137.8
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