CID 11052371

77935-16-1

Structural Information

Molecular Formula

C₆H₉N₃O₂S

SMILES

C1=C(N=C(S1)N)CC(C(=O)O)N

InChI

InChI=1S/C6H9N3O2S/c7-4(5(10)11)1-3-2-12-6(8)9-3/h2,4H,1,7H2,(H2,8,9)(H,10,11)

InChIKey

DWADWSBCFOZNJF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 187.04155 Da
Monoisotopic Mass: -2.7
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]+	188.04883	137.9
[M+Na]+	210.03077	144.9
[M-H]-	186.03427	138.4
[M+NH4]+	205.07537	156.6
[M+K]+	226.00471	142.5
[M+H-H2O]+	170.03881	131.4
[M+HCOO]-	232.03975	155.2
[M+CH3COO]-	246.05540	181.0
[M+Na-2H]-	208.01622	137.5
[M]+	187.04100	136.0
[M]-	187.04210	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe