CID 17869600

2-(but-3-en-1-yloxy)ethan-1-ol

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

C=CCCOCCO

InChI

InChI=1S/C6H12O2/c1-2-3-5-8-6-4-7/h2,7H,1,3-6H2

InChIKey

OMPLKIMQQZQBRB-UHFFFAOYSA-N

Compound name

2-but-3-enoxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 116.08373 Da
Monoisotopic Mass: 0.5
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]+	117.09101	123.8
[M+Na]+	139.07295	133.9
[M+NH4]+	134.11755	131.4
[M+K]+	155.04689	128.2
[M-H]-	115.07645	122.6
[M+Na-2H]-	137.05840	127.3
[M]+	116.08318	124.6
[M]-	116.08428	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe