CID 12933420

4-methyl-1h-1,2,3-triazole

Structural Information

Molecular Formula

C₃H₅N₃

SMILES

CC1=NNN=C1

InChI

InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)

InChIKey

GVSNQMFKEPBIOY-UHFFFAOYSA-N

Compound name

4-methyl-2H-triazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 4473
Patents: 83.04835 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]+	84.055626	113.0
[M+Na]+	106.03757	124.8
[M+NH4]+	101.08217	121.0
[M+K]+	122.01151	121.5
[M-H]-	82.041074	112.5
[M+Na-2H]-	104.02302	119.4
[M]+	83.047801	114.3
[M]-	83.048899	114.3

Literature stripe

literature stripe

Patent stripe

patents stripe