CID 84021117

En300-344147

Structural Information

Molecular Formula

C₅H₆N₂O₂S

SMILES

CC1=C(C(=NS1)N)C(=O)O

InChI

InChI=1S/C5H6N2O2S/c1-2-3(5(8)9)4(6)7-10-2/h1H3,(H2,6,7)(H,8,9)

InChIKey

DDHFDNZZCTWTQR-UHFFFAOYSA-N

Compound name

3-amino-5-methyl-1,2-thiazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 158.015 Da
Monoisotopic Mass: 1.1
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]+	159.02228	131.1
[M+Na]+	181.00422	140.2
[M+NH4]+	176.04882	138.5
[M+K]+	196.97816	136.6
[M-H]-	157.00772	131.1
[M+Na-2H]-	178.98967	134.2
[M]+	158.01445	132.5
[M]-	158.01555	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.