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]+ 228.10192 151.0
[M+Na]+ 250.08386 161.8
[M-H]- 226.08736 157.2
[M+NH4]+ 245.12846 163.8
[M+K]+ 266.05780 156.7
[M+H-H2O]+ 210.09190 143.8
[M+HCOO]- 272.09284 171.1
[M+CH3COO]- 286.10849 192.9
[M+Na-2H]- 248.06931 156.2
[M]+ 227.09409 153.8
[M]- 227.09519 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.