CID 129944798

2-amino-3-(2-chloro-6-methylpyridin-3-yl)propanoic acid dihydrochloride

Structural Information

Molecular Formula
C9H11ClN2O2
SMILES
CC1=NC(=C(C=C1)CC(C(=O)O)N)Cl
InChI
InChI=1S/C9H11ClN2O2/c1-5-2-3-6(8(10)12-5)4-7(11)9(13)14/h2-3,7H,4,11H2,1H3,(H,13,14)
InChIKey
WBZLHIOYWLROGT-UHFFFAOYSA-N
Compound name
2-amino-3-(2-chloro-6-methyl-3-pyridinyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.0509 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.058176 143.9
[M+Na]+ 237.040118 152.3
[M-H]- 213.043624 144.8
[M+NH4]+ 232.084723 161.1
[M+K]+ 253.014058 148.5
[M+H-H2O]+ 197.048160 138.5
[M+HCOO]- 259.049101 160.2
[M+CH3COO]- 273.064751 186.7
[M+Na-2H]- 235.025566 146.6
[M]+ 214.05035142 144.4
[M]- 214.05144858 144.4
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

No patent data available for this compound.