CID 12576851

N,n-dimethyl-4h-1,2,4-triazol-3-amine hydroiodide

Structural Information

Molecular Formula

C₄H₈N₄

SMILES

CN(C)C1=NC=NN1

InChI

InChI=1S/C4H8N4/c1-8(2)4-5-3-6-7-4/h3H,1-2H3,(H,5,6,7)

InChIKey

JFNQRZQLFJSYLO-UHFFFAOYSA-N

Compound name

N,N-dimethyl-1H-1,2,4-triazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 112.0749 Da
Monoisotopic Mass: 0.4
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]+	113.08218	120.5
[M+Na]+	135.06412	131.0
[M+NH4]+	130.10872	128.0
[M+K]+	151.03806	128.4
[M-H]-	111.06762	120.5
[M+Na-2H]-	133.04957	126.6
[M]+	112.07435	121.6
[M]-	112.07545	121.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe