CID 1133022

2-(1h-pyrazol-1-yl)ethan-1-amine

Structural Information

Molecular Formula

C₅H₉N₃

SMILES

C1=CN(N=C1)CCN

InChI

InChI=1S/C5H9N3/c6-2-5-8-4-1-3-7-8/h1,3-4H,2,5-6H2

InChIKey

UIWDESVQLUNCRV-UHFFFAOYSA-N

Compound name

2-pyrazol-1-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 467
Patents: 111.07965 Da
Monoisotopic Mass: -1.4
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]+	112.086926	120.3
[M+Na]+	134.068868	128.4
[M-H]-	110.072374	120.8
[M+NH4]+	129.113473	141.6
[M+K]+	150.042808	127.3
[M+H-H2O]+	94.076910	113.1
[M+HCOO]-	156.077851	144.7
[M+CH3COO]-	170.093501	168.9
[M+Na-2H]-	132.054316	127.6
[M]+	111.07910142	118.7
[M]-	111.08019858	118.7

Literature stripe

literature stripe

Patent stripe

patents stripe