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]+ 201.148526 145.6
[M+Na]+ 223.130468 151.1
[M-H]- 199.133974 149.9
[M+NH4]+ 218.175073 164.2
[M+K]+ 239.104408 153.0
[M+H-H2O]+ 183.138510 140.7
[M+HCOO]- 245.139451 163.2
[M+CH3COO]- 259.155101 185.4
[M+Na-2H]- 221.115916 151.2
[M]+ 200.14070142 147.0
[M]- 200.14179858 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.