CID 50989707

3-(3-amino-1h-pyrazol-1-yl)propan-1-ol

Structural Information

Molecular Formula

C₆H₁₁N₃O

SMILES

C1=CN(N=C1N)CCCO

InChI

InChI=1S/C6H11N3O/c7-6-2-4-9(8-6)3-1-5-10/h2,4,10H,1,3,5H2,(H2,7,8)

InChIKey

ZQIOGDSNYJYBTN-UHFFFAOYSA-N

Compound name

3-(3-aminopyrazol-1-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 141.09021 Da
Monoisotopic Mass: -0.5
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]+	142.09749	128.5
[M+Na]+	164.07943	138.3
[M+NH4]+	159.12403	135.6
[M+K]+	180.05337	135.4
[M-H]-	140.08293	128.4
[M+Na-2H]-	162.06488	133.1
[M]+	141.08966	129.4
[M]-	141.09076	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe