CID 84669671

2-amino-3-(5-chloropyridin-3-yl)propanoic acid dihydrochloride

Structural Information

Molecular Formula
C8H9ClN2O2
SMILES
C1=C(C=NC=C1Cl)CC(C(=O)O)N
InChI
InChI=1S/C8H9ClN2O2/c9-6-1-5(3-11-4-6)2-7(10)8(12)13/h1,3-4,7H,2,10H2,(H,12,13)
InChIKey
HDGGQBDUJVVCBA-UHFFFAOYSA-N
Compound name
2-amino-3-(5-chloro-3-pyridinyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

200.03525 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.042526 139.5
[M+Na]+ 223.024468 147.4
[M-H]- 199.027974 140.1
[M+NH4]+ 218.069073 156.9
[M+K]+ 238.998408 143.7
[M+H-H2O]+ 183.032510 133.9
[M+HCOO]- 245.033451 156.1
[M+CH3COO]- 259.049101 182.5
[M+Na-2H]- 221.009916 143.4
[M]+ 200.03470142 139.2
[M]- 200.03579858 139.2
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