CID 98279

4-methyl-1-pentyn-3-ol

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

CC(C)C(C#C)O

InChI

InChI=1S/C6H10O/c1-4-6(7)5(2)3/h1,5-7H,2-3H3

InChIKey

UTIFIONYBLSHIL-UHFFFAOYSA-N

Compound name

4-methylpent-1-yn-3-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 337
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	119.0
[M+Na]+	121.06238	129.0
[M+NH4]+	116.10699	123.6
[M+K]+	137.03632	121.8
[M-H]-	97.065890	110.5
[M+Na-2H]-	119.04783	120.1
[M]+	98.072617	117.0
[M]-	98.073715	117.0

Literature stripe

literature stripe

Patent stripe

patents stripe