CID 734315

62510-41-2

Structural Information

Molecular Formula
C12H13NO
SMILES
CCC1=C2C(=CC=C1)C(=O)C=C(N2)C
InChI
InChI=1S/C12H13NO/c1-3-9-5-4-6-10-11(14)7-8(2)13-12(9)10/h4-7H,3H2,1-2H3,(H,13,14)
InChIKey
VOOFHJQJGZCKJM-UHFFFAOYSA-N
Compound name
8-ethyl-2-methyl-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.09972 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.10700 138.7
[M+Na]+ 210.08894 149.0
[M-H]- 186.09244 141.2
[M+NH4]+ 205.13354 158.3
[M+K]+ 226.06288 144.4
[M+H-H2O]+ 170.09698 132.5
[M+HCOO]- 232.09792 159.8
[M+CH3COO]- 246.11357 182.5
[M+Na-2H]- 208.07439 146.0
[M]+ 187.09917 139.0
[M]- 187.10027 139.0
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.