CID 537787

Tert-pentyl vinyl ether

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

CCC(C)(C)OC=C

InChI

InChI=1S/C7H14O/c1-5-7(3,4)8-6-2/h6H,2,5H2,1,3-4H3

InChIKey

CYADZXMTKIHVMV-UHFFFAOYSA-N

Compound name

2-ethenoxy-2-methylbutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1194
Patents: 114.10446 Da
Monoisotopic Mass: 2.3
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]+	115.111736	124.3
[M+Na]+	137.093678	132.0
[M-H]-	113.097184	124.9
[M+NH4]+	132.138283	147.4
[M+K]+	153.067618	131.9
[M+H-H2O]+	97.101720	120.7
[M+HCOO]-	159.102661	146.7
[M+CH3COO]-	173.118311	171.7
[M+Na-2H]-	135.079126	131.7
[M]+	114.10391142	126.3
[M]-	114.10500858	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe