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-methylpyridin-3-yl)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]+ 215.05818 143.9
[M+Na]+ 237.04012 152.3
[M-H]- 213.04362 144.8
[M+NH4]+ 232.08472 161.1
[M+K]+ 253.01406 148.5
[M+H-H2O]+ 197.04816 138.5
[M+HCOO]- 259.04910 160.2
[M+CH3COO]- 273.06475 186.7
[M+Na-2H]- 235.02557 146.6
[M]+ 214.05035 144.4
[M]- 214.05145 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.