CID 56935924

Myristoleyl myristate

Structural Information

Molecular Formula
C28H54O2
SMILES
CCCCCCCCCCCCCC(=O)OCCCCCCCC/C=C\CCCC
InChI
InChI=1S/C28H54O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11H,3-8,10,12-27H2,1-2H3/b11-9-
InChIKey
WOZMIYHLAHMXGG-LUAWRHEFSA-N
Compound name
[(Z)-tetradec-9-enyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

422.41238 Da
Monoisotopic Mass

12.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.41966 221.8
[M+Na]+ 445.40160 220.3
[M-H]- 421.40510 217.9
[M+NH4]+ 440.44620 222.3
[M+K]+ 461.37554 214.5
[M+H-H2O]+ 405.40964 213.2
[M+HCOO]- 467.41058 234.3
[M+CH3COO]- 481.42623 234.5
[M+Na-2H]- 443.38705 215.9
[M]+ 422.41183 232.1
[M]- 422.41293 232.1
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