CID 6481995

Schembl4556577

Structural Information

Molecular Formula
C12H11NO3
SMILES
CC(C1=C2C=CC=NC2=C(C=C1)O)C(=O)O
InChI
InChI=1S/C12H11NO3/c1-7(12(15)16)8-4-5-10(14)11-9(8)3-2-6-13-11/h2-7,14H,1H3,(H,15,16)
InChIKey
HKPTZQPMUPEJQE-UHFFFAOYSA-N
Compound name
2-(8-hydroxyquinolin-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

217.0739 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 145.5
[M+Na]+ 240.06312 153.5
[M-H]- 216.06662 146.4
[M+NH4]+ 235.10772 162.3
[M+K]+ 256.03706 150.3
[M+H-H2O]+ 200.07116 139.1
[M+HCOO]- 262.07210 163.4
[M+CH3COO]- 276.08775 184.8
[M+Na-2H]- 238.04857 150.7
[M]+ 217.07335 145.2
[M]- 217.07445 145.2
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