CID 39346183

1070879-87-6

Structural Information

Molecular Formula
C13H15NO
SMILES
CCCC1=CC(=O)C2=CC=CC(=C2N1)C
InChI
InChI=1S/C13H15NO/c1-3-5-10-8-12(15)11-7-4-6-9(2)13(11)14-10/h4,6-8H,3,5H2,1-2H3,(H,14,15)
InChIKey
LBIWAWKGQRGEIB-UHFFFAOYSA-N
Compound name
8-methyl-2-propyl-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.11537 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.122646 143.4
[M+Na]+ 224.104588 153.2
[M-H]- 200.108094 145.7
[M+NH4]+ 219.149193 162.4
[M+K]+ 240.078528 148.4
[M+H-H2O]+ 184.112630 136.9
[M+HCOO]- 246.113571 164.1
[M+CH3COO]- 260.129221 185.5
[M+Na-2H]- 222.090036 150.2
[M]+ 201.11482142 144.1
[M]- 201.11591858 144.1
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.