CID 3002907

2-cyclohexylquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C16H17NO2
SMILES
C1CCC(CC1)C2=NC3=CC=CC=C3C(=C2)C(=O)O
InChI
InChI=1S/C16H17NO2/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h4-5,8-11H,1-3,6-7H2,(H,18,19)
InChIKey
PAMLFRMFHRJNCA-UHFFFAOYSA-N
Compound name
2-cyclohexylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

255.12593 Da
Monoisotopic Mass

3.9
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

patents stripe