CID 24702034

2-(1h-pyrazol-1-yl)ethanimidamide hydrochloride

Structural Information

Molecular Formula

C₅H₈N₄

SMILES

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

InChI

InChI=1S/C5H8N4/c6-5(7)4-9-3-1-2-8-9/h1-3H,4H2,(H3,6,7)

InChIKey

SCSJUIZPWDBNFV-UHFFFAOYSA-N

Compound name

2-pyrazol-1-ylethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 124.0749 Da
Monoisotopic Mass: -0.6
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]+	125.08218	123.5
[M+Na]+	147.06412	130.8
[M-H]-	123.06762	124.2
[M+NH4]+	142.10872	143.7
[M+K]+	163.03806	129.4
[M+H-H2O]+	107.07216	116.0
[M+HCOO]-	169.07310	148.1
[M+CH3COO]-	183.08875	173.7
[M+Na-2H]-	145.04957	130.0
[M]+	124.07435	119.8
[M]-	124.07545	119.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe