CID 122600

Octadecyl methacrylate

Structural Information

Molecular Formula
C22H42O2
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C
InChI
InChI=1S/C22H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3/h2,4-20H2,1,3H3
InChIKey
HMZGPNHSPWNGEP-UHFFFAOYSA-N
Compound name
octadecyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

25
References

77722
Patents

338.31848 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.325756 196.1
[M+Na]+ 361.307698 196.9
[M-H]- 337.311204 193.6
[M+NH4]+ 356.352303 209.8
[M+K]+ 377.281638 193.1
[M+H-H2O]+ 321.315740 188.8
[M+HCOO]- 383.316681 213.5
[M+CH3COO]- 397.332331 218.3
[M+Na-2H]- 359.293146 192.1
[M]+ 338.31793142 203.6
[M]- 338.31902858 203.6
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