CID 56935926

Lauryl linolenate

Structural Information

Molecular Formula
C30H54O2
SMILES
CCCCCCCCCCCCOC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C30H54O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(31)32-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,11,13,16-17H,3-4,6,8-10,12,14-15,18-29H2,1-2H3/b7-5-,13-11-,17-16-
InChIKey
OJUWCMVWZKGKMF-YYPVPKODSA-N
Compound name
dodecyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

446.41238 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.41966 227.1
[M+Na]+ 469.40160 225.6
[M-H]- 445.40510 211.2
[M+NH4]+ 464.44620 225.7
[M+K]+ 485.37554 218.1
[M+H-H2O]+ 429.40964 218.4
[M+HCOO]- 491.41058 238.1
[M+CH3COO]- 505.42623 237.5
[M+Na-2H]- 467.38705 220.4
[M]+ 446.41183 227.0
[M]- 446.41293 227.0
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