CID 69964

26571-49-3

Structural Information

Molecular Formula
C39H72O4
SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCCCOC(=O)CCCCCCCC=CCCCCCCCC
InChI
InChI=1S/C39H72O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-38(40)42-36-33-37-43-39(41)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-37H2,1-2H3
InChIKey
DAGUWHQPUZIHIC-UHFFFAOYSA-N
Compound name
3-octadec-9-enoyloxypropyl octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

117
Patents

604.5431 Da
Monoisotopic Mass

15.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.55038 261.5
[M+Na]+ 627.53232 267.7
[M-H]- 603.53582 245.9
[M+NH4]+ 622.57692 263.9
[M+K]+ 643.50626 269.1
[M+H-H2O]+ 587.54036 261.8
[M+HCOO]- 649.54130 267.8
[M+CH3COO]- 663.55695 267.0
[M+Na-2H]- 625.51777 245.3
[M]+ 604.54255 261.6
[M]- 604.54365 261.6
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.