CID 142200

Isooctyl vinyl ether

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CC(C)CC(C)(C)COC=C

InChI

InChI=1S/C10H20O/c1-6-11-8-10(4,5)7-9(2)3/h6,9H,1,7-8H2,2-5H3

InChIKey

RSZNIQXJTHPTBO-UHFFFAOYSA-N

Compound name

1-ethenoxy-2,2,4-trimethylpentane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 31
Patents: 156.15141 Da
Monoisotopic Mass: 3.7
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]+	157.158686	138.2
[M+Na]+	179.140628	144.4
[M-H]-	155.144134	138.3
[M+NH4]+	174.185233	159.6
[M+K]+	195.114568	143.9
[M+H-H2O]+	139.148670	134.1
[M+HCOO]-	201.149611	158.7
[M+CH3COO]-	215.165261	181.6
[M+Na-2H]-	177.126076	142.7
[M]+	156.15086142	140.7
[M]-	156.15195858	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe