CID 56935923

Myristoleyl myristoleate

Structural Information

Molecular Formula
C28H52O2
SMILES
CCCC/C=C\CCCCCCCCOC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C28H52O2/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/h9-12H,3-8,13-27H2,1-2H3/b11-9-,12-10-
InChIKey
DLWIEMYWILBAKT-HWAYABPNSA-N
Compound name
[(Z)-tetradec-9-enyl] (Z)-tetradec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

420.39673 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.40401 220.2
[M+Na]+ 443.38595 219.1
[M-H]- 419.38945 216.4
[M+NH4]+ 438.43055 220.4
[M+K]+ 459.35989 212.7
[M+H-H2O]+ 403.39399 211.7
[M+HCOO]- 465.39493 233.0
[M+CH3COO]- 479.41058 233.0
[M+Na-2H]- 441.37140 214.4
[M]+ 420.39618 229.7
[M]- 420.39728 229.7
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