CID 3022445

2-methyloctadecyl acrylate

Structural Information

Molecular Formula
C22H42O2
SMILES
CCCCCCCCCCCCCCCCC(C)COC(=O)C=C
InChI
InChI=1S/C22H42O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(3)20-24-22(23)5-2/h5,21H,2,4,6-20H2,1,3H3
InChIKey
KZMXOWBRTHYSGW-UHFFFAOYSA-N
Compound name
2-methyloctadecyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

338.31848 Da
Monoisotopic Mass

10.0
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

No literature data available for this compound.

Patent stripe

patents stripe