CID 66077

Vinyl stearate

Structural Information

Molecular Formula
C20H38O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC=C
InChI
InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h4H,2-3,5-19H2,1H3
InChIKey
AFSIMBWBBOJPJG-UHFFFAOYSA-N
Compound name
ethenyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

42841
Patents

310.28717 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.29445 186.4
[M+Na]+ 333.27639 188.2
[M-H]- 309.27989 184.2
[M+NH4]+ 328.32099 201.3
[M+K]+ 349.25033 184.5
[M+H-H2O]+ 293.28443 179.3
[M+HCOO]- 355.28537 205.5
[M+CH3COO]- 369.30102 211.6
[M+Na-2H]- 331.26184 184.8
[M]+ 310.28662 193.8
[M]- 310.28772 193.8
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