CID 2766514

2-(1h-1,2,4-triazol-1-yl)ethanimidamide hydrochloride

Structural Information

Molecular Formula

C₄H₇N₅

SMILES

C1=NN(C=N1)CC(=N)N

InChI

InChI=1S/C4H7N5/c5-4(6)1-9-3-7-2-8-9/h2-3H,1H2,(H3,5,6)

InChIKey

ZONUQYCSOJPVAY-UHFFFAOYSA-N

Compound name

2-(1,2,4-triazol-1-yl)ethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 125.070145 Da
Monoisotopic Mass: -0.9
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]+	126.07742	123.0
[M+Na]+	148.05936	131.9
[M+NH4]+	143.10397	129.5
[M+K]+	164.03330	130.0
[M-H]-	124.06287	122.7
[M+Na-2H]-	146.04481	128.2
[M]+	125.06960	123.6
[M]-	125.07069	123.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe