CID 82659265

2243509-11-5

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: 2
Patents: 204.99643 Da
Monoisotopic Mass: -0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	206.00371	141.6
[M+Na]+	227.98565	150.6
[M+NH4]+	223.03025	149.5
[M+K]+	243.95959	146.0
[M-H]-	203.98915	142.1
[M+Na-2H]-	225.97110	144.7
[M]+	204.99588	143.4
[M]-	204.99698	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe