CID 137951758

2174008-03-6

Structural Information

Molecular Formula

C₄H₇N₅

SMILES

C1=CN(N=N1)CC(=N)N

InChI

InChI=1S/C4H7N5/c5-4(6)3-9-2-1-7-8-9/h1-2H,3H2,(H3,5,6)

InChIKey

VEKOIAOZMXJLBV-UHFFFAOYSA-N

Compound name

2-(triazol-1-yl)ethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 125.070145 Da
Monoisotopic Mass: -1.2
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	123.2
[M+Na]+	148.05936	131.0
[M-H]-	124.06287	122.7
[M+NH4]+	143.10397	142.1
[M+K]+	164.03330	129.8
[M+H-H2O]+	108.06740	115.0
[M+HCOO]-	170.06835	146.9
[M+CH3COO]-	184.08400	173.6
[M+Na-2H]-	146.04481	130.2
[M]+	125.06960	119.7
[M]-	125.07069	119.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe