CID 78809

Didodecyl oxalate

Structural Information

Molecular Formula
C26H50O4
SMILES
CCCCCCCCCCCCOC(=O)C(=O)OCCCCCCCCCCCC
InChI
InChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-17-19-21-23-29-25(27)26(28)30-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKey
KYBDAUNESKLXAZ-UHFFFAOYSA-N
Compound name
didodecyl oxalate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

426.3709 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.378176 219.7
[M+Na]+ 449.360118 218.9
[M-H]- 425.363624 208.3
[M+NH4]+ 444.404723 222.5
[M+K]+ 465.334058 215.2
[M+H-H2O]+ 409.368160 211.3
[M+HCOO]- 471.369101 230.1
[M+CH3COO]- 485.384751 232.2
[M+Na-2H]- 447.345566 213.8
[M]+ 426.37035142 221.8
[M]- 426.37144858 221.8
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