CID 129965916

2-amino-3-(2,6-dichloropyridin-4-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C8H8Cl2N2O2
SMILES
C1=C(C=C(N=C1Cl)Cl)CC(C(=O)O)N
InChI
InChI=1S/C8H8Cl2N2O2/c9-6-2-4(3-7(10)12-6)1-5(11)8(13)14/h2-3,5H,1,11H2,(H,13,14)
InChIKey
HIUMJVSCVUFUFW-UHFFFAOYSA-N
Compound name
2-amino-3-(2,6-dichloro-4-pyridinyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

233.99628 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.003556 143.9
[M+Na]+ 256.985498 153.0
[M-H]- 232.989004 144.3
[M+NH4]+ 252.030103 160.7
[M+K]+ 272.959438 148.1
[M+H-H2O]+ 216.993540 139.5
[M+HCOO]- 278.994481 155.5
[M+CH3COO]- 293.010131 188.4
[M+Na-2H]- 254.970946 146.5
[M]+ 233.99573142 145.1
[M]- 233.99682858 145.1
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