CID 7023140

3-(1h-pyrazol-1-yl)propan-1-amine

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

C1=CN(N=C1)CCCN

InChI

InChI=1S/C6H11N3/c7-3-1-5-9-6-2-4-8-9/h2,4,6H,1,3,5,7H2

InChIKey

JSXVMXHCFBPCLV-UHFFFAOYSA-N

Compound name

3-pyrazol-1-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 159
Patents: 125.0953 Da
Monoisotopic Mass: -1.0
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]+	126.10258	125.1
[M+Na]+	148.08452	135.6
[M+NH4]+	143.12912	133.1
[M+K]+	164.05846	131.6
[M-H]-	124.08802	126.0
[M+Na-2H]-	146.06997	131.1
[M]+	125.09475	126.5
[M]-	125.09585	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe