CID 7990

3-hexyn-2-ol

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

CCC#CC(C)O

InChI

InChI=1S/C6H10O/c1-3-4-5-6(2)7/h6-7H,3H2,1-2H3

InChIKey

IFCAMPHNVKBSTF-UHFFFAOYSA-N

Compound name

hex-3-yn-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 204
Patents: 98.073166 Da
Monoisotopic Mass: 1.0
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]+	99.080442	119.2
[M+Na]+	121.06238	129.5
[M+NH4]+	116.10699	123.9
[M+K]+	137.03632	121.6
[M-H]-	97.065890	110.9
[M+Na-2H]-	119.04783	120.6
[M]+	98.072617	117.3
[M]-	98.073715	117.3

Literature stripe

literature stripe

Patent stripe

patents stripe