CID 83765

13830-89-2

Structural Information

Molecular Formula
C18H26O6
SMILES
CCC(COC(=O)CC=C)(COC(=O)CC=C)COC(=O)CC=C
InChI
InChI=1S/C18H26O6/c1-5-9-15(19)22-12-18(8-4,13-23-16(20)10-6-2)14-24-17(21)11-7-3/h5-7H,1-3,8-14H2,4H3
InChIKey
JPODCWNJUFDIEA-UHFFFAOYSA-N
Compound name
2,2-bis(but-3-enoyloxymethyl)butyl but-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.17294 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18022 181.0
[M+Na]+ 361.16216 186.2
[M+NH4]+ 356.20676 188.2
[M+K]+ 377.13610 184.7
[M-H]- 337.16566 179.9
[M+Na-2H]- 359.14761 178.7
[M]+ 338.17239 179.4
[M]- 338.17349 179.4
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.