CID 16782636

1-amino-3-(1h-pyrazol-1-yl)propan-2-ol

Structural Information

Molecular Formula

C₆H₁₁N₃O

SMILES

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

InChI

InChI=1S/C6H11N3O/c7-4-6(10)5-9-3-1-2-8-9/h1-3,6,10H,4-5,7H2

InChIKey

GTEXXCCAHDQARI-UHFFFAOYSA-N

Compound name

1-amino-3-pyrazol-1-ylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 141.09021 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]+	142.09749	129.0
[M+Na]+	164.07943	138.0
[M+NH4]+	159.12403	135.9
[M+K]+	180.05337	135.7
[M-H]-	140.08293	128.5
[M+Na-2H]-	162.06488	133.4
[M]+	141.08966	129.6
[M]-	141.09076	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe