CID 137944087

2287261-22-5

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

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]+	206.99895	140.9
[M+Na]+	228.98089	149.9
[M+NH4]+	224.02549	148.2
[M+K]+	244.95483	145.8
[M-H]-	204.98439	140.6
[M+Na-2H]-	226.96634	143.8
[M]+	205.99112	142.4
[M]-	205.99222	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe