CID 29629

5-(methoxymethyl)-2,5-dimethyl-1,3-dioxane

Structural Information

Molecular Formula
C8H16O3
SMILES
CC1OCC(CO1)(C)COC
InChI
InChI=1S/C8H16O3/c1-7-10-5-8(2,4-9-3)6-11-7/h7H,4-6H2,1-3H3
InChIKey
VWPPOYZNPCNBMV-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)-2,5-dimethyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

160.10994 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.117216 132.7
[M+Na]+ 183.099158 139.3
[M-H]- 159.102664 137.4
[M+NH4]+ 178.143763 153.1
[M+K]+ 199.073098 142.2
[M+H-H2O]+ 143.107200 128.2
[M+HCOO]- 205.108141 152.1
[M+CH3COO]- 219.123791 176.2
[M+Na-2H]- 181.084606 141.1
[M]+ 160.10939142 134.3
[M]- 160.11048858 134.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe