CID 137021

1-propene, 3-(1,1-dimethylethoxy)-

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

CC(C)(C)OCC=C

InChI

InChI=1S/C7H14O/c1-5-6-8-7(2,3)4/h5H,1,6H2,2-4H3

InChIKey

FHVRTMVXBVDWCK-UHFFFAOYSA-N

Compound name

2-methyl-2-prop-2-enoxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 819
Patents: 114.10446 Da
Monoisotopic Mass: 1.7
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]+	115.111736	124.5
[M+Na]+	137.093678	132.2
[M-H]-	113.097184	125.1
[M+NH4]+	132.138283	147.7
[M+K]+	153.067618	132.1
[M+H-H2O]+	97.101720	120.9
[M+HCOO]-	159.102661	146.9
[M+CH3COO]-	173.118311	171.0
[M+Na-2H]-	135.079126	131.9
[M]+	114.10391142	126.4
[M]-	114.10500858	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe