CID 53431323

115365-42-9

Structural Information

Molecular Formula
C52H100O2
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCCC=CCCCCCCCC)CCCCCCC=CCCCCCCCC
InChI
InChI=1S/C52H100O2/c1-4-7-10-13-16-19-22-25-27-28-31-33-36-39-42-45-48-51(47-44-41-38-35-32-30-26-23-20-17-14-11-8-5-2)50-54-52(53)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3/h25-27,30,51H,4-24,28-29,31-50H2,1-3H3
InChIKey
ZEZBFWADYPBYLV-UHFFFAOYSA-N
Compound name
2-hexadec-7-enylicos-11-enyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

756.77234 Da
Monoisotopic Mass

23.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 757.77962 301.4
[M+Na]+ 779.76156 305.8
[M-H]- 755.76506 278.9
[M+NH4]+ 774.80616 301.7
[M+K]+ 795.73550 313.2
[M+H-H2O]+ 739.76960 299.9
[M+HCOO]- 801.77054 302.1
[M+CH3COO]- 815.78619 300.1
[M+Na-2H]- 777.74701 280.2
[M]+ 756.77179 301.3
[M]- 756.77289 301.3
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.