CID 11138158

129228-21-3

Structural Information

Molecular Formula

C₁₂H₂₆O₂

SMILES

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

InChI

InChI=1S/C12H26O2/c1-10(2)7-12(8-13-5,9-14-6)11(3)4/h10-11H,7-9H2,1-6H3

InChIKey

RGHIYOCUMCUWAQ-UHFFFAOYSA-N

Compound name

3,3-bis(methoxymethyl)-2,5-dimethylhexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2749
Patents: 202.19328 Da
Monoisotopic Mass: 3.1
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]+	203.20056	152.4
[M+Na]+	225.18250	157.2
[M-H]-	201.18600	152.1
[M+NH4]+	220.22710	171.9
[M+K]+	241.15644	157.7
[M+H-H2O]+	185.19054	147.6
[M+HCOO]-	247.19148	171.2
[M+CH3COO]-	261.20713	191.3
[M+Na-2H]-	223.16795	154.6
[M]+	202.19273	157.2
[M]-	202.19383	157.2

Literature stripe

literature stripe

Patent stripe

patents stripe