CID 421625

Lithium 2-hydroxy-3-(quinolin-2-yl)propanoate

Structural Information

Molecular Formula
C12H11NO3
SMILES
C1=CC=C2C(=C1)C=CC(=N2)CC(C(=O)O)O
InChI
InChI=1S/C12H11NO3/c14-11(12(15)16)7-9-6-5-8-3-1-2-4-10(8)13-9/h1-6,11,14H,7H2,(H,15,16)
InChIKey
QPOFVEGOCUCXGY-UHFFFAOYSA-N
Compound name
2-hydroxy-3-quinolin-2-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

217.0739 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.081176 145.7
[M+Na]+ 240.063118 152.8
[M-H]- 216.066624 146.2
[M+NH4]+ 235.107723 162.2
[M+K]+ 256.037058 149.5
[M+H-H2O]+ 200.071160 139.0
[M+HCOO]- 262.072101 163.6
[M+CH3COO]- 276.087751 183.6
[M+Na-2H]- 238.048566 151.6
[M]+ 217.07335142 145.0
[M]- 217.07444858 145.0
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