CID 3002267

4-cyclohexyl quinaldic acid

Structural Information

Molecular Formula
C16H17NO2
SMILES
C1CCC(CC1)C2=CC(=NC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C16H17NO2/c18-16(19)15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h4-5,8-11H,1-3,6-7H2,(H,18,19)
InChIKey
MAFHZIOYIBTNHT-UHFFFAOYSA-N
Compound name
4-cyclohexylquinoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.12593 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 158.0
[M+Na]+ 278.11515 163.3
[M-H]- 254.11865 162.0
[M+NH4]+ 273.15975 173.3
[M+K]+ 294.08909 158.8
[M+H-H2O]+ 238.12319 149.6
[M+HCOO]- 300.12413 173.9
[M+CH3COO]- 314.13978 168.3
[M+Na-2H]- 276.10060 162.1
[M]+ 255.12538 153.1
[M]- 255.12648 153.1
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.