CID 108399

59848-66-7

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC(C)CC1CC(=C)CCO1

InChI

InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h8,10H,3-7H2,1-2H3

InChIKey

MMDIPEMQOQIJRH-UHFFFAOYSA-N

Compound name

4-methylidene-2-(2-methylpropyl)oxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 154.13577 Da
Monoisotopic Mass: 2.6
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]+	155.143046	135.7
[M+Na]+	177.124988	140.6
[M-H]-	153.128494	139.2
[M+NH4]+	172.169593	155.5
[M+K]+	193.098928	140.6
[M+H-H2O]+	137.133030	130.4
[M+HCOO]-	199.133971	154.1
[M+CH3COO]-	213.149621	178.5
[M+Na-2H]-	175.110436	139.6
[M]+	154.13522142	132.8
[M]-	154.13631858	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe