CID 16218153

4-methylthiazole-2-carbonitrile

Structural Information

Molecular Formula

SMILES

CC1=CSC(=N1)C#N

InChI

InChI=1S/C5H4N2S/c1-4-3-8-5(2-6)7-4/h3H,1H3

InChIKey

ZLJOKRUAKFPDRN-UHFFFAOYSA-N

Compound name

4-methyl-1,3-thiazole-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 124.00952 Da
Monoisotopic Mass: 1.4
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]+	125.01680	119.3
[M+Na]+	146.99874	130.8
[M+NH4]+	142.04334	125.3
[M+K]+	162.97268	122.0
[M-H]-	123.00224	113.8
[M+Na-2H]-	144.98419	123.1
[M]+	124.00897	118.9
[M]-	124.01007	118.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe