CID 74081

1,4-diacetoxy-2-butyne

Structural Information

Molecular Formula

C₈H₁₀O₄

SMILES

CC(=O)OCC#CCOC(=O)C

InChI

InChI=1S/C8H10O4/c1-7(9)11-5-3-4-6-12-8(2)10/h5-6H2,1-2H3

InChIKey

TVIMIQVBDDNCCR-UHFFFAOYSA-N

Compound name

4-acetyloxybut-2-ynyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 261
Patents: 170.0579 Da
Monoisotopic Mass: 0.1
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]+	171.06518	134.3
[M+Na]+	193.04712	143.3
[M+NH4]+	188.09172	136.9
[M+K]+	209.02106	136.6
[M-H]-	169.05062	124.3
[M+Na-2H]-	191.03257	133.9
[M]+	170.05735	131.6
[M]-	170.05845	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe