CID 264313

3-(quinolin-2-yl)propanoic acid

Structural Information

Molecular Formula
C12H11NO2
SMILES
C1=CC=C2C(=C1)C=CC(=N2)CCC(=O)O
InChI
InChI=1S/C12H11NO2/c14-12(15)8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-6H,7-8H2,(H,14,15)
InChIKey
PBXJDATXARPDPW-UHFFFAOYSA-N
Compound name
3-quinolin-2-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

58
Patents

201.07898 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.086256 142.1
[M+Na]+ 224.068198 150.1
[M-H]- 200.071704 143.9
[M+NH4]+ 219.112803 160.2
[M+K]+ 240.042138 146.6
[M+H-H2O]+ 184.076240 135.3
[M+HCOO]- 246.077181 162.4
[M+CH3COO]- 260.092831 183.0
[M+Na-2H]- 222.053646 149.7
[M]+ 201.07843142 142.4
[M]- 201.07952858 142.4
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