CID 8108

Butyl vinyl ether

Structural Information

Molecular Formula

C₆H₁₂O

SMILES

CCCCOC=C

InChI

InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3

InChIKey

UZKWTJUDCOPSNM-UHFFFAOYSA-N

Compound name

1-ethenoxybutane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 33
References: 55901
Patents: 100.08881 Da
Monoisotopic Mass: 2.1
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]+	101.09609	119.9
[M+Na]+	123.07803	127.5
[M-H]-	99.081534	120.3
[M+NH4]+	118.12263	143.4
[M+K]+	139.05197	127.3
[M+H-H2O]+	83.086070	115.8
[M+HCOO]-	145.08701	144.2
[M+CH3COO]-	159.10266	168.4
[M+Na-2H]-	121.06348	127.2
[M]+	100.08826	122.0
[M]-	100.08936	122.0

Literature stripe

literature stripe

Patent stripe

patents stripe