CID 3024202

2-decyltetradecyl octanoate

Structural Information

Molecular Formula
C32H64O2
SMILES
CCCCCCCCCCCCC(CCCCCCCCCC)COC(=O)CCCCCCC
InChI
InChI=1S/C32H64O2/c1-4-7-10-13-15-17-18-20-23-25-28-31(27-24-22-19-16-14-11-8-5-2)30-34-32(33)29-26-21-12-9-6-3/h31H,4-30H2,1-3H3
InChIKey
FNKSKKWQOFTCEG-UHFFFAOYSA-N
Compound name
2-decyltetradecyl octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

480.49063 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.497906 239.5
[M+Na]+ 503.479848 246.2
[M-H]- 479.483354 222.9
[M+NH4]+ 498.524453 239.7
[M+K]+ 519.453788 246.2
[M+H-H2O]+ 463.487890 232.3
[M+HCOO]- 525.488831 245.9
[M+CH3COO]- 539.504481 248.0
[M+Na-2H]- 501.465296 232.4
[M]+ 480.49008142 240.8
[M]- 480.49117858 240.8
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