CID 11970919

(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methyl acrylate

Structural Information

Molecular Formula
C12H20O4
SMILES
CCC1(COC(OC1)(C)C)COC(=O)C=C
InChI
InChI=1S/C12H20O4/c1-5-10(13)14-7-12(6-2)8-15-11(3,4)16-9-12/h5H,1,6-9H2,2-4H3
InChIKey
WVGMRRVFEUTSKN-UHFFFAOYSA-N
Compound name
(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

228.13615 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.143426 149.0
[M+Na]+ 251.125368 155.3
[M-H]- 227.128874 153.5
[M+NH4]+ 246.169973 168.5
[M+K]+ 267.099308 157.3
[M+H-H2O]+ 211.133410 144.9
[M+HCOO]- 273.134351 166.7
[M+CH3COO]- 287.150001 188.8
[M+Na-2H]- 249.110816 155.7
[M]+ 228.13560142 151.9
[M]- 228.13669858 151.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe