CID 137944087

2-amino-3-(5-chloro-1,3-thiazol-4-yl)propanoic acid dihydrochloride

Structural Information

Molecular Formula
C6H7ClN2O2S
SMILES
C1=NC(=C(S1)Cl)CC(C(=O)O)N
InChI
InChI=1S/C6H7ClN2O2S/c7-5-4(9-2-12-5)1-3(8)6(10)11/h2-3H,1,8H2,(H,10,11)
InChIKey
PHVQSFXEXVVXBN-UHFFFAOYSA-N
Compound name
2-amino-3-(5-chloro-1,3-thiazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

205.99167 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.998946 140.2
[M+Na]+ 228.980888 148.8
[M-H]- 204.984394 141.4
[M+NH4]+ 224.025493 159.7
[M+K]+ 244.954828 145.0
[M+H-H2O]+ 188.988930 135.3
[M+HCOO]- 250.989871 152.7
[M+CH3COO]- 265.005521 180.3
[M+Na-2H]- 226.966336 139.8
[M]+ 205.99112142 141.9
[M]- 205.99221858 141.9
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