CID 275785

2-cyclopropylquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C13H11NO2
SMILES
C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)O
InChI
InChI=1S/C13H11NO2/c15-13(16)10-7-12(8-5-6-8)14-11-4-2-1-3-9(10)11/h1-4,7-8H,5-6H2,(H,15,16)
InChIKey
HYOFXKNWXLKLSH-UHFFFAOYSA-N
Compound name
2-cyclopropylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

59
Patents

213.07898 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08626 146.8
[M+Na]+ 236.06820 157.2
[M-H]- 212.07170 152.8
[M+NH4]+ 231.11280 159.8
[M+K]+ 252.04214 152.3
[M+H-H2O]+ 196.07624 139.6
[M+HCOO]- 258.07718 167.3
[M+CH3COO]- 272.09283 159.2
[M+Na-2H]- 234.05365 153.2
[M]+ 213.07843 148.9
[M]- 213.07953 148.9
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