CID 11286886

75890-68-5

Structural Information

Molecular Formula

C₆H₆N₂O₃S

SMILES

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

InChI

InChI=1S/C6H6N2O3S/c9-3-7-6-8-4(2-12-6)1-5(10)11/h2-3H,1H2,(H,10,11)(H,7,8,9)

InChIKey

MXBRIEOXXKWWCE-UHFFFAOYSA-N

Compound name

2-(2-formamido-1,3-thiazol-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 186.00992 Da
Monoisotopic Mass: 0.0
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]+	187.01720	138.2
[M+Na]+	208.99914	146.6
[M+NH4]+	204.04374	144.7
[M+K]+	224.97308	142.8
[M-H]-	185.00264	137.5
[M+Na-2H]-	206.98459	141.2
[M]+	186.00937	139.2
[M]-	186.01047	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe