CID 87565

Docosyl acrylate

Structural Information

Molecular Formula
C25H48O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C
InChI
InChI=1S/C25H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-25(26)4-2/h4H,2-3,5-24H2,1H3
InChIKey
KHAYCTOSKLIHEP-UHFFFAOYSA-N
Compound name
docosyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10795
Patents

380.36542 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.37270 208.5
[M+Na]+ 403.35464 208.2
[M-H]- 379.35814 205.2
[M+NH4]+ 398.39924 220.5
[M+K]+ 419.32858 203.2
[M+H-H2O]+ 363.36268 200.5
[M+HCOO]- 425.36362 225.9
[M+CH3COO]- 439.37927 226.4
[M+Na-2H]- 401.34009 204.2
[M]+ 380.36487 217.8
[M]- 380.36597 217.8
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