CID 21835219

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

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CC(CO)N1C=CC=N1

InChI

InChI=1S/C6H10N2O/c1-6(5-9)8-4-2-3-7-8/h2-4,6,9H,5H2,1H3

InChIKey

CMPLWMNHSXWAPK-UHFFFAOYSA-N

Compound name

2-pyrazol-1-ylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 126.079315 Da
Monoisotopic Mass: -0.1
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	125.5
[M+Na]+	149.06853	136.2
[M+NH4]+	144.11314	133.1
[M+K]+	165.04247	133.2
[M-H]-	125.07204	125.1
[M+Na-2H]-	147.05398	130.7
[M]+	126.07877	126.6
[M]-	126.07986	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe