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]+ 256.133206 158.0
[M+Na]+ 278.115148 163.3
[M-H]- 254.118654 162.0
[M+NH4]+ 273.159753 173.3
[M+K]+ 294.089088 158.8
[M+H-H2O]+ 238.123190 149.6
[M+HCOO]- 300.124131 173.9
[M+CH3COO]- 314.139781 168.3
[M+Na-2H]- 276.100596 162.1
[M]+ 255.12538142 153.1
[M]- 255.12647858 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.