CID 542354

1,4-dimethoxy-2-butyne

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

COCC#CCOC

InChI

InChI=1S/C6H10O2/c1-7-5-3-4-6-8-2/h5-6H2,1-2H3

InChIKey

YFUQYYGBJJCAPR-UHFFFAOYSA-N

Compound name

1,4-dimethoxybut-2-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 114.06808 Da
Monoisotopic Mass: 0.0
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]+	115.07536	118.9
[M+Na]+	137.05730	128.8
[M-H]-	113.06080	119.0
[M+NH4]+	132.10190	139.6
[M+K]+	153.03124	128.4
[M+H-H2O]+	97.065340	108.8
[M+HCOO]-	159.06628	137.9
[M+CH3COO]-	173.08193	177.7
[M+Na-2H]-	135.04275	125.8
[M]+	114.06753	117.0
[M]-	114.06863	117.0

Literature stripe

literature stripe

Patent stripe

patents stripe