CID 31468

22645-40-5

Structural Information

Molecular Formula
C10H20O3
SMILES
CC1OCC(CO1)(COC)C(C)C
InChI
InChI=1S/C10H20O3/c1-8(2)10(5-11-4)6-12-9(3)13-7-10/h8-9H,5-7H2,1-4H3
InChIKey
CXTFIWDHFDRXKK-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)-2-methyl-5-propan-2-yl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.14125 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.14853 142.5
[M+Na]+ 211.13047 153.0
[M+NH4]+ 206.17507 151.8
[M+K]+ 227.10441 146.8
[M-H]- 187.13397 146.3
[M+Na-2H]- 209.11592 147.1
[M]+ 188.14070 145.2
[M]- 188.14180 145.2
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

No patent data available for this compound.