CID 246981

Didodecyl carbonate

Structural Information

Molecular Formula
C25H50O3
SMILES
CCCCCCCCCCCCOC(=O)OCCCCCCCCCCCC
InChI
InChI=1S/C25H50O3/c1-3-5-7-9-11-13-15-17-19-21-23-27-25(26)28-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKey
GOAUNPQUDWQWCP-UHFFFAOYSA-N
Compound name
didodecyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

965
Patents

398.376 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.383276 213.3
[M+Na]+ 421.365218 212.8
[M-H]- 397.368724 210.1
[M+NH4]+ 416.409823 216.7
[M+K]+ 437.339158 208.9
[M+H-H2O]+ 381.373260 205.0
[M+HCOO]- 443.374201 228.7
[M+CH3COO]- 457.389851 228.3
[M+Na-2H]- 419.350666 209.1
[M]+ 398.37545142 224.7
[M]- 398.37654858 224.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe