CID 15929103

Trans-4,4-dimethoxy-2-butenol

Structural Information

Molecular Formula

C₆H₁₂O₃

SMILES

COC(/C=C/CO)OC

InChI

InChI=1S/C6H12O3/c1-8-6(9-2)4-3-5-7/h3-4,6-7H,5H2,1-2H3/b4-3+

InChIKey

GIMNCOOATDDACO-ONEGZZNKSA-N

Compound name

(E)-4,4-dimethoxybut-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 132.07864 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]+	133.08592	127.3
[M+Na]+	155.06786	136.6
[M+NH4]+	150.11246	134.2
[M+K]+	171.04180	132.3
[M-H]-	131.07136	125.4
[M+Na-2H]-	153.05331	130.0
[M]+	132.07809	127.7
[M]-	132.07919	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe