CID 23023739

1353101-13-9

Structural Information

Molecular Formula

C₄H₄N₂O₂S

SMILES

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

InChI

InChI=1S/C4H4N2O2S/c5-3-2(4(7)8)6-1-9-3/h1H,5H2,(H,7,8)

InChIKey

FSMITCDFXHXTIC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 143.99934 Da
Monoisotopic Mass: 1.0
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]+	145.00662	125.2
[M+Na]+	166.98856	134.5
[M-H]-	142.99206	126.7
[M+NH4]+	162.03316	146.5
[M+K]+	182.96250	132.4
[M+H-H2O]+	126.99660	119.7
[M+HCOO]-	188.99754	144.0
[M+CH3COO]-	203.01319	169.5
[M+Na-2H]-	164.97401	127.3
[M]+	143.99879	125.0
[M]-	143.99989	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe