CID 174625

87320-05-6

Structural Information

Molecular Formula
C17H26O6
SMILES
CCC1(COC(OC1)C(C)(C)COC(=O)C=C)COC(=O)C=C
InChI
InChI=1S/C17H26O6/c1-6-13(18)20-9-16(4,5)15-22-11-17(8-3,12-23-15)10-21-14(19)7-2/h6-7,15H,1-2,8-12H2,3-5H3
InChIKey
YNTQTLGBCMXNFX-UHFFFAOYSA-N
Compound name
[5-ethyl-2-(2-methyl-1-prop-2-enoyloxypropan-2-yl)-1,3-dioxan-5-yl]methyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1891
Patents

326.17294 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18022 175.7
[M+Na]+ 349.16216 182.8
[M+NH4]+ 344.20676 180.6
[M+K]+ 365.13610 178.5
[M-H]- 325.16566 175.7
[M+Na-2H]- 347.14761 176.6
[M]+ 326.17239 176.5
[M]- 326.17349 176.5
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

patents stripe