CID 174625

Einecs 289-312-8

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

1921
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 174.8
[M+Na]+ 349.16216 178.7
[M-H]- 325.16566 178.4
[M+NH4]+ 344.20676 188.1
[M+K]+ 365.13610 180.1
[M+H-H2O]+ 309.17020 169.7
[M+HCOO]- 371.17114 189.3
[M+CH3COO]- 385.18679 207.4
[M+Na-2H]- 347.14761 178.1
[M]+ 326.17239 179.6
[M]- 326.17349 179.6
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