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]+ 257.21114 164.5
[M+Na]+ 279.19308 168.0
[M-H]- 255.19658 168.1
[M+NH4]+ 274.23768 180.8
[M+K]+ 295.16702 169.4
[M+H-H2O]+ 239.20112 159.0
[M+HCOO]- 301.20206 179.7
[M+CH3COO]- 315.21771 198.3
[M+Na-2H]- 277.17853 166.7
[M]+ 256.20331 166.7
[M]- 256.20441 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.