CID 162716860

2-amino-3-(dichloro-1,3-thiazol-4-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C6H6Cl2N2O2S
SMILES
C(C1=C(SC(=N1)Cl)Cl)C(C(=O)O)N
InChI
InChI=1S/C6H6Cl2N2O2S/c7-4-3(10-6(8)13-4)1-2(9)5(11)12/h2H,1,9H2,(H,11,12)
InChIKey
SZMPQRMBDVOLBZ-UHFFFAOYSA-N
Compound name
2-amino-3-(2,5-dichloro-1,3-thiazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

239.9527 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.95998 145.2
[M+Na]+ 262.94192 154.8
[M-H]- 238.94542 146.2
[M+NH4]+ 257.98652 164.0
[M+K]+ 278.91586 149.7
[M+H-H2O]+ 222.94996 141.4
[M+HCOO]- 284.95090 152.7
[M+CH3COO]- 298.96655 186.2
[M+Na-2H]- 260.92737 143.6
[M]+ 239.95215 148.0
[M]- 239.95325 148.0
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