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: 165
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]+	126.102576	124.8
[M+Na]+	148.084518	132.5
[M-H]-	124.088024	125.2
[M+NH4]+	143.129123	145.6
[M+K]+	164.058458	131.2
[M+H-H2O]+	108.092560	117.5
[M+HCOO]-	170.093501	148.9
[M+CH3COO]-	184.109151	171.9
[M+Na-2H]-	146.069966	131.6
[M]+	125.09475142	123.6
[M]-	125.09584858	123.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe