CID 11829864

N-(5-formylthiazol-2-yl)acetamide

Structural Information

Molecular Formula

C₆H₆N₂O₂S

SMILES

CC(=O)NC1=NC=C(S1)C=O

InChI

InChI=1S/C6H6N2O2S/c1-4(10)8-6-7-2-5(3-9)11-6/h2-3H,1H3,(H,7,8,10)

InChIKey

KZLHASJXPLGUOE-UHFFFAOYSA-N

Compound name

N-(5-formyl-1,3-thiazol-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 170.015 Da
Monoisotopic Mass: 0.9
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]+	171.022276	132.9
[M+Na]+	193.004218	142.2
[M-H]-	169.007724	136.1
[M+NH4]+	188.048823	154.2
[M+K]+	208.978158	140.4
[M+H-H2O]+	153.012260	126.9
[M+HCOO]-	215.013201	153.4
[M+CH3COO]-	229.028851	177.2
[M+Na-2H]-	190.989666	135.4
[M]+	170.01445142	135.6
[M]-	170.01554858	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe