CID 21139611

Schembl23645085

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CC(C(=O)O)NC1=C2C(=CC(=C1)OC)C=CC=N2
InChI
InChI=1S/C13H14N2O3/c1-8(13(16)17)15-11-7-10(18-2)6-9-4-3-5-14-12(9)11/h3-8,15H,1-2H3,(H,16,17)
InChIKey
KCYRVQQKJYMPAM-UHFFFAOYSA-N
Compound name
2-[(6-methoxyquinolin-8-yl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

246.10045 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.107726 153.5
[M+Na]+ 269.089668 160.6
[M-H]- 245.093174 155.5
[M+NH4]+ 264.134273 169.5
[M+K]+ 285.063608 158.1
[M+H-H2O]+ 229.097710 146.2
[M+HCOO]- 291.098651 173.6
[M+CH3COO]- 305.114301 195.3
[M+Na-2H]- 267.075116 159.1
[M]+ 246.09990142 154.7
[M]- 246.10099858 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

patents stripe