CID 22931305

3-(quinolin-6-yl)propanoic acid

Structural Information

Molecular Formula
C12H11NO2
SMILES
C1=CC2=C(C=CC(=C2)CCC(=O)O)N=C1
InChI
InChI=1S/C12H11NO2/c14-12(15)6-4-9-3-5-11-10(8-9)2-1-7-13-11/h1-3,5,7-8H,4,6H2,(H,14,15)
InChIKey
UPKRMFOVLLETOW-UHFFFAOYSA-N
Compound name
3-quinolin-6-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
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

No literature data available for this compound.

Patent stripe

patents stripe