CID 162504

Dodecyl decanoate

Structural Information

Molecular Formula
C22H44O2
SMILES
CCCCCCCCCCCCOC(=O)CCCCCCCCC
InChI
InChI=1S/C22H44O2/c1-3-5-7-9-11-12-13-15-17-19-21-24-22(23)20-18-16-14-10-8-6-4-2/h3-21H2,1-2H3
InChIKey
MNOODXPYABBZMC-UHFFFAOYSA-N
Compound name
dodecyl decanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

292
Patents

340.33414 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.34142 197.1
[M+Na]+ 363.32336 197.8
[M-H]- 339.32686 194.4
[M+NH4]+ 358.36796 210.9
[M+K]+ 379.29730 194.2
[M+H-H2O]+ 323.33140 189.6
[M+HCOO]- 385.33234 215.3
[M+CH3COO]- 399.34799 218.4
[M+Na-2H]- 361.30881 194.3
[M]+ 340.33359 206.0
[M]- 340.33469 206.0
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