CID 31459

22644-70-8

Structural Information

Molecular Formula
C15H28O3
SMILES
CCCOC(C)C1(COC(OC1)C(C)C)CC=C
InChI
InChI=1S/C15H28O3/c1-6-8-15(13(5)16-9-7-2)10-17-14(12(3)4)18-11-15/h6,12-14H,1,7-11H2,2-5H3
InChIKey
NAQZZQUPMYYENO-UHFFFAOYSA-N
Compound name
2-propan-2-yl-5-prop-2-enyl-5-(1-propoxyethyl)-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.20386 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.211136 164.5
[M+Na]+ 279.193078 168.0
[M-H]- 255.196584 168.1
[M+NH4]+ 274.237683 180.8
[M+K]+ 295.167018 169.4
[M+H-H2O]+ 239.201120 159.0
[M+HCOO]- 301.202061 179.7
[M+CH3COO]- 315.217711 198.3
[M+Na-2H]- 277.178526 166.7
[M]+ 256.20331142 166.7
[M]- 256.20440858 166.7
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.