CID 568629

3,3-dimethoxyhexane

Structural Information

Molecular Formula

C₈H₁₈O₂

SMILES

CCCC(CC)(OC)OC

InChI

InChI=1S/C8H18O2/c1-5-7-8(6-2,9-3)10-4/h5-7H2,1-4H3

InChIKey

KYKSUAPFGPQISC-UHFFFAOYSA-N

Compound name

3,3-dimethoxyhexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 109
Patents: 146.13068 Da
Monoisotopic Mass: 2.1
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]+	147.13796	133.9
[M+Na]+	169.11990	140.9
[M-H]-	145.12340	134.3
[M+NH4]+	164.16450	155.8
[M+K]+	185.09384	141.5
[M+H-H2O]+	129.12794	129.8
[M+HCOO]-	191.12888	156.1
[M+CH3COO]-	205.14453	177.6
[M+Na-2H]-	167.10535	140.7
[M]+	146.13013	138.5
[M]-	146.13123	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe