CID 89147284

1-(5-methyl-1h-pyrazol-3-yl)ethan-1-ol

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CC1=CC(=NN1)C(C)O

InChI

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

InChIKey

DLZOVKXVVBTQQB-UHFFFAOYSA-N

Compound name

1-(5-methyl-1H-pyrazol-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 126.079315 Da
Monoisotopic Mass: 0.2
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	125.8
[M+Na]+	149.06853	134.3
[M-H]-	125.07204	124.5
[M+NH4]+	144.11314	146.0
[M+K]+	165.04247	132.4
[M+H-H2O]+	109.07658	119.8
[M+HCOO]-	171.07752	145.7
[M+CH3COO]-	185.09317	166.5
[M+Na-2H]-	147.05398	130.2
[M]+	126.07877	123.8
[M]-	126.07986	123.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe