CID 60710317

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

Structural Information

Molecular Formula

C₄H₄N₄

SMILES

CN1C=NC(=N1)C#N

InChI

InChI=1S/C4H4N4/c1-8-3-6-4(2-5)7-8/h3H,1H3

InChIKey

FLGDSZZTEJTGJH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 108.043594 Da
Monoisotopic Mass: 0.1
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]+	109.05087	120.5
[M+Na]+	131.03281	132.3
[M+NH4]+	126.07742	124.9
[M+K]+	147.00675	125.7
[M-H]-	107.03632	113.2
[M+Na-2H]-	129.01826	124.4
[M]+	108.04305	119.1
[M]-	108.04414	119.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe