CID 17751165

Myristyl isostearate

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3569
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

literature stripe

Patent stripe

patents stripe