CID 31461

22644-77-5

Structural Information

Molecular Formula
C11H22O3
SMILES
CC1OCC(CO1)(CCOC)C(C)C
InChI
InChI=1S/C11H22O3/c1-9(2)11(5-6-12-4)7-13-10(3)14-8-11/h9-10H,5-8H2,1-4H3
InChIKey
CIWCKAVUXAQVJE-UHFFFAOYSA-N
Compound name
5-(2-methoxyethyl)-2-methyl-5-propan-2-yl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.15689 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.16417 147.2
[M+Na]+ 225.14611 152.3
[M-H]- 201.14961 151.4
[M+NH4]+ 220.19071 165.8
[M+K]+ 241.12005 154.8
[M+H-H2O]+ 185.15415 142.2
[M+HCOO]- 247.15509 164.6
[M+CH3COO]- 261.17074 186.2
[M+Na-2H]- 223.13156 152.7
[M]+ 202.15634 149.2
[M]- 202.15744 149.2
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.