CID 82659265

2-amino-3-(2-chlorothiophen-3-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C7H8ClNO2S
SMILES
C1=CSC(=C1CC(C(=O)O)N)Cl
InChI
InChI=1S/C7H8ClNO2S/c8-6-4(1-2-12-6)3-5(9)7(10)11/h1-2,5H,3,9H2,(H,10,11)
InChIKey
PPKLROFQLFUYPS-UHFFFAOYSA-N
Compound name
2-amino-3-(2-chlorothiophen-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

204.99643 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.00371 141.7
[M+Na]+ 227.98565 149.9
[M-H]- 203.98915 144.1
[M+NH4]+ 223.03025 162.6
[M+K]+ 243.95959 145.8
[M+H-H2O]+ 187.99369 137.5
[M+HCOO]- 249.99463 155.1
[M+CH3COO]- 264.01028 180.6
[M+Na-2H]- 225.97110 140.8
[M]+ 204.99588 143.3
[M]- 204.99698 143.3
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