CID 130804

316-66-5

Structural Information

Molecular Formula
C18H25NO2
SMILES
CCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1O
InChI
InChI=1S/C18H25NO2/c1-2-3-4-5-6-7-8-11-15-14-18(20)16-12-9-10-13-17(16)19(15)21/h9-10,12-14,21H,2-8,11H2,1H3
InChIKey
JYFNTDPGDPZMCM-UHFFFAOYSA-N
Compound name
1-hydroxy-2-nonylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

28
References

38
Patents

287.18854 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.19582 170.0
[M+Na]+ 310.17776 177.4
[M-H]- 286.18126 171.2
[M+NH4]+ 305.22236 185.2
[M+K]+ 326.15170 172.0
[M+H-H2O]+ 270.18580 162.1
[M+HCOO]- 332.18674 189.1
[M+CH3COO]- 346.20239 202.6
[M+Na-2H]- 308.16321 173.9
[M]+ 287.18799 173.7
[M]- 287.18909 173.7
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