CID 141344

3-pentyn-2-ol

Structural Information

Molecular Formula

SMILES

CC#CC(C)O

InChI

InChI=1S/C5H8O/c1-3-4-5(2)6/h5-6H,1-2H3

InChIKey

HJFRLXPEVRXBQZ-UHFFFAOYSA-N

Compound name

pent-3-yn-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 585
Patents: 84.05752 Da
Monoisotopic Mass: 0.6
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]+	85.064796	115.0
[M+Na]+	107.04674	125.5
[M+NH4]+	102.09134	119.9
[M+K]+	123.02068	117.9
[M-H]-	83.050244	106.7
[M+Na-2H]-	105.03219	116.7
[M]+	84.056971	113.2
[M]-	84.058069	113.2

Literature stripe

literature stripe

Patent stripe

patents stripe