CID 199634

Dtxsid70940727

Structural Information

Molecular Formula
C11H22O3
SMILES
CC1OCC(CO1)(C(C)C)C(C)OC
InChI
InChI=1S/C11H22O3/c1-8(2)11(9(3)12-5)6-13-10(4)14-7-11/h8-10H,6-7H2,1-5H3
InChIKey
IXESRTVHFFPTLQ-UHFFFAOYSA-N
Compound name
5-(1-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

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.164166 147.3
[M+Na]+ 225.146108 152.2
[M-H]- 201.149614 151.6
[M+NH4]+ 220.190713 165.9
[M+K]+ 241.120048 155.2
[M+H-H2O]+ 185.154150 142.5
[M+HCOO]- 247.155091 163.7
[M+CH3COO]- 261.170741 187.1
[M+Na-2H]- 223.131556 151.7
[M]+ 202.15634142 148.7
[M]- 202.15743858 148.7
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.