CID 13967189

1-methyl-2-nonylquinolin-4(1h)-one

Structural Information

Molecular Formula
C19H27NO
SMILES
CCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C
InChI
InChI=1S/C19H27NO/c1-3-4-5-6-7-8-9-12-16-15-19(21)17-13-10-11-14-18(17)20(16)2/h10-11,13-15H,3-9,12H2,1-2H3
InChIKey
XIGBBPQAXHSVSN-UHFFFAOYSA-N
Compound name
1-methyl-2-nonylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

285.20926 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.21654 170.9
[M+Na]+ 308.19848 178.5
[M-H]- 284.20198 173.4
[M+NH4]+ 303.24308 187.1
[M+K]+ 324.17242 173.1
[M+H-H2O]+ 268.20652 162.7
[M+HCOO]- 330.20746 191.0
[M+CH3COO]- 344.22311 206.1
[M+Na-2H]- 306.18393 174.7
[M]+ 285.20871 175.4
[M]- 285.20981 175.4
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

No patent data available for this compound.