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 180.4
[M+Na]+ 361.16216 184.2
[M-H]- 337.16566 179.2
[M+NH4]+ 356.20676 189.9
[M+K]+ 377.13610 182.2
[M+H-H2O]+ 321.17020 174.5
[M+HCOO]- 383.17114 196.2
[M+CH3COO]- 397.18679 210.6
[M+Na-2H]- 359.14761 179.3
[M]+ 338.17239 188.3
[M]- 338.17349 188.3
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.