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]+ 202.12265 143.4
[M+Na]+ 224.10459 153.2
[M-H]- 200.10809 145.7
[M+NH4]+ 219.14919 162.4
[M+K]+ 240.07853 148.4
[M+H-H2O]+ 184.11263 136.9
[M+HCOO]- 246.11357 164.1
[M+CH3COO]- 260.12922 185.5
[M+Na-2H]- 222.09004 150.2
[M]+ 201.11482 144.1
[M]- 201.11592 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.