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

53
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 148.4
[M+Na]+ 236.06820 164.0
[M+NH4]+ 231.11280 157.7
[M+K]+ 252.04214 158.5
[M-H]- 212.07170 158.6
[M+Na-2H]- 234.05365 158.3
[M]+ 213.07843 154.7
[M]- 213.07953 154.7
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

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