CID 56935952

Hexadecyl 6z-octadecenoate

Structural Information

Molecular Formula
C34H66O2
SMILES
CCCCCCCCCCCCCCCCOC(=O)CCCC/C=C\CCCCCCCCCCC
InChI
InChI=1S/C34H66O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h22,24H,3-21,23,25-33H2,1-2H3/b24-22-
InChIKey
GIMDKXABHCTMMG-GYHWCHFESA-N
Compound name
hexadecyl (Z)-octadec-6-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.5063 Da
Monoisotopic Mass

15.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.51358 244.9
[M+Na]+ 529.49552 251.2
[M-H]- 505.49902 226.7
[M+NH4]+ 524.54012 243.6
[M+K]+ 545.46946 251.1
[M+H-H2O]+ 489.50356 244.7
[M+HCOO]- 551.50450 253.6
[M+CH3COO]- 565.52015 251.7
[M+Na-2H]- 527.48097 229.9
[M]+ 506.50575 245.6
[M]- 506.50685 245.6
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.