CID 31455

22644-65-1

Structural Information

Molecular Formula
C11H20O3
SMILES
CC1OCC(CO1)(CC=C)C(C)OC
InChI
InChI=1S/C11H20O3/c1-5-6-11(9(2)12-4)7-13-10(3)14-8-11/h5,9-10H,1,6-8H2,2-4H3
InChIKey
SZZGKCYDGKYICS-UHFFFAOYSA-N
Compound name
5-(1-methoxyethyl)-2-methyl-5-prop-2-enyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.14125 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.14853 145.6
[M+Na]+ 223.13047 151.1
[M-H]- 199.13397 149.9
[M+NH4]+ 218.17507 164.2
[M+K]+ 239.10441 153.0
[M+H-H2O]+ 183.13851 140.7
[M+HCOO]- 245.13945 163.2
[M+CH3COO]- 259.15510 185.4
[M+Na-2H]- 221.11592 151.2
[M]+ 200.14070 147.0
[M]- 200.14180 147.0
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.