CID 53689075

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

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CC(C)(C1=CC=NN1)O

InChI

InChI=1S/C6H10N2O/c1-6(2,9)5-3-4-7-8-5/h3-4,9H,1-2H3,(H,7,8)

InChIKey

BLZMBYKLRAAEGG-UHFFFAOYSA-N

Compound name

2-(1H-pyrazol-5-yl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 113
Patents: 126.079315 Da
Monoisotopic Mass: 0.0
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]+	127.08659	126.5
[M+Na]+	149.06853	134.7
[M-H]-	125.07204	125.0
[M+NH4]+	144.11314	146.5
[M+K]+	165.04247	132.8
[M+H-H2O]+	109.07658	120.8
[M+HCOO]-	171.07752	145.8
[M+CH3COO]-	185.09317	164.8
[M+Na-2H]-	147.05398	133.5
[M]+	126.07877	124.2
[M]-	126.07986	124.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe