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]+ 161.11722 132.7
[M+Na]+ 183.09916 139.3
[M-H]- 159.10266 137.4
[M+NH4]+ 178.14376 153.1
[M+K]+ 199.07310 142.2
[M+H-H2O]+ 143.10720 128.2
[M+HCOO]- 205.10814 152.1
[M+CH3COO]- 219.12379 176.2
[M+Na-2H]- 181.08461 141.1
[M]+ 160.10939 134.3
[M]- 160.11049 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