CID 18726713

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

Structural Information

Molecular Formula

C₅H₉N₃

SMILES

CCC1=NN=CN1C

InChI

InChI=1S/C5H9N3/c1-3-5-7-6-4-8(5)2/h4H,3H2,1-2H3

InChIKey

FLPWYJGTTKUYRV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 111.07965 Da
Monoisotopic Mass: 0.3
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]+	112.08693	121.3
[M+Na]+	134.06887	133.7
[M+NH4]+	129.11347	129.3
[M+K]+	150.04281	129.7
[M-H]-	110.07237	121.3
[M+Na-2H]-	132.05432	127.5
[M]+	111.07910	122.9
[M]-	111.08020	122.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe