CID 1561

341-88-8

Structural Information

Molecular Formula
C16H21NO2
SMILES
CCCCCCCC1=CC(=O)C2=CC=CC=C2N1O
InChI
InChI=1S/C16H21NO2/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17(13)19/h7-8,10-12,19H,2-6,9H2,1H3
InChIKey
ICTVCUOZYWNYHM-UHFFFAOYSA-N
Compound name
2-heptyl-1-hydroxyquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

125
References

587
Patents

259.15723 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16451 160.7
[M+Na]+ 282.14645 169.1
[M-H]- 258.14995 162.4
[M+NH4]+ 277.19105 177.2
[M+K]+ 298.12039 164.1
[M+H-H2O]+ 242.15449 153.3
[M+HCOO]- 304.15543 180.6
[M+CH3COO]- 318.17108 196.6
[M+Na-2H]- 280.13190 165.8
[M]+ 259.15668 163.8
[M]- 259.15778 163.8
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