CID 228644

57282-44-7

Structural Information

Molecular Formula

C₁₄H₂₆O₂

SMILES

CC1CCOC(O1)CC(C)CCC=C(C)C

InChI

InChI=1S/C14H26O2/c1-11(2)6-5-7-12(3)10-14-15-9-8-13(4)16-14/h6,12-14H,5,7-10H2,1-4H3

InChIKey

IKWKPGJFLCMUKW-UHFFFAOYSA-N

Compound name

2-(2,6-dimethylhept-5-enyl)-4-methyl-1,3-dioxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 226.19328 Da
Monoisotopic Mass: 4.3
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]+	227.20056	157.5
[M+Na]+	249.18250	167.3
[M+NH4]+	244.22710	164.9
[M+K]+	265.15644	161.9
[M-H]-	225.18600	161.2
[M+Na-2H]-	247.16795	159.4
[M]+	226.19273	159.8
[M]-	226.19383	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe