CID 21706426

1-methoxy-2-methylbut-3-yn-2-ol

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CC(COC)(C#C)O

InChI

InChI=1S/C6H10O2/c1-4-6(2,7)5-8-3/h1,7H,5H2,2-3H3

InChIKey

JEBUUQLXYVZBJV-UHFFFAOYSA-N

Compound name

1-methoxy-2-methylbut-3-yn-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 113
Patents: 114.06808 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]+	115.07536	123.6
[M+Na]+	137.05730	133.2
[M-H]-	113.06080	122.6
[M+NH4]+	132.10190	143.6
[M+K]+	153.03124	132.4
[M+H-H2O]+	97.065340	114.2
[M+HCOO]-	159.06628	139.7
[M+CH3COO]-	173.08193	176.7
[M+Na-2H]-	135.04275	130.1
[M]+	114.06753	119.6
[M]-	114.06863	119.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe