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

5
Patents

205.99167 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.99895 140.2
[M+Na]+ 228.98089 148.8
[M-H]- 204.98439 141.4
[M+NH4]+ 224.02549 159.7
[M+K]+ 244.95483 145.0
[M+H-H2O]+ 188.98893 135.3
[M+HCOO]- 250.98987 152.7
[M+CH3COO]- 265.00552 180.3
[M+Na-2H]- 226.96634 139.8
[M]+ 205.99112 141.9
[M]- 205.99222 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