CID 88709

Hexadecyl dodecanoate

Structural Information

Molecular Formula
C28H56O2
SMILES
CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC
InChI
InChI=1S/C28H56O2/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-30-28(29)26-24-22-20-18-12-10-8-6-4-2/h3-27H2,1-2H3
InChIKey
VWOKINHIVGKNRX-UHFFFAOYSA-N
Compound name
hexadecyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

1437
Patents

424.42804 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.43532 223.3
[M+Na]+ 447.41726 221.5
[M-H]- 423.42076 219.4
[M+NH4]+ 442.46186 224.3
[M+K]+ 463.39120 216.3
[M+H-H2O]+ 407.42530 214.6
[M+HCOO]- 469.42624 235.8
[M+CH3COO]- 483.44189 235.9
[M+Na-2H]- 445.40271 217.4
[M]+ 424.42749 234.4
[M]- 424.42859 234.4
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.