CID 21825961

40534-33-6

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

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

InChI

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

InChIKey

NNJMHJRBXQSTCT-UHFFFAOYSA-N

Compound name

1-(1-methylpyrazol-4-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 126.079315 Da
Monoisotopic Mass: -0.3
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	124.9
[M+Na]+	149.06853	133.7
[M-H]-	125.07204	124.9
[M+NH4]+	144.11314	145.8
[M+K]+	165.04247	132.8
[M+H-H2O]+	109.07658	118.6
[M+HCOO]-	171.07752	146.3
[M+CH3COO]-	185.09317	169.1
[M+Na-2H]-	147.05398	129.8
[M]+	126.07877	124.7
[M]-	126.07986	124.7

Literature stripe

literature stripe

Patent stripe

patents stripe