CID 64920490

2-cyclopropyl-3-methylquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C14H13NO2
SMILES
CC1=C(C2=CC=CC=C2N=C1C3CC3)C(=O)O
InChI
InChI=1S/C14H13NO2/c1-8-12(14(16)17)10-4-2-3-5-11(10)15-13(8)9-6-7-9/h2-5,9H,6-7H2,1H3,(H,16,17)
InChIKey
CPPAWELHXWHSFP-UHFFFAOYSA-N
Compound name
2-cyclopropyl-3-methylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.09464 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.101916 151.0
[M+Na]+ 250.083858 161.8
[M-H]- 226.087364 157.2
[M+NH4]+ 245.128463 163.8
[M+K]+ 266.057798 156.7
[M+H-H2O]+ 210.091900 143.8
[M+HCOO]- 272.092841 171.1
[M+CH3COO]- 286.108491 192.9
[M+Na-2H]- 248.069306 156.2
[M]+ 227.09409142 153.8
[M]- 227.09518858 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.