CID 4684973

1596-65-2

Structural Information

Molecular Formula

C₆H₈N₂O₂S

SMILES

C1=CSC(=N1)CC(C(=O)O)N

InChI

InChI=1S/C6H8N2O2S/c7-4(6(9)10)3-5-8-1-2-11-5/h1-2,4H,3,7H2,(H,9,10)

InChIKey

PXFXXRSFSGRBRT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 583
Patents: 172.03065 Da
Monoisotopic Mass: -2.3
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]+	173.03793	135.0
[M+Na]+	195.01987	142.1
[M-H]-	171.02337	135.8
[M+NH4]+	190.06447	154.7
[M+K]+	210.99381	140.2
[M+H-H2O]+	155.02791	128.8
[M+HCOO]-	217.02885	152.1
[M+CH3COO]-	231.04450	175.3
[M+Na-2H]-	193.00532	135.6
[M]+	172.03010	134.5
[M]-	172.03120	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe