CID 3023829

2-methylheptadecyl methacrylate

Structural Information

Molecular Formula
C22H42O2
SMILES
CCCCCCCCCCCCCCCC(C)COC(=O)C(=C)C
InChI
InChI=1S/C22H42O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(4)19-24-22(23)20(2)3/h21H,2,5-19H2,1,3-4H3
InChIKey
CIWPQRKLSCWPBV-UHFFFAOYSA-N
Compound name
2-methylheptadecyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

338.31848 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.325756 196.5
[M+Na]+ 361.307698 197.2
[M-H]- 337.311204 194.1
[M+NH4]+ 356.352303 210.2
[M+K]+ 377.281638 193.8
[M+H-H2O]+ 321.315740 189.4
[M+HCOO]- 383.316681 213.0
[M+CH3COO]- 397.332331 219.0
[M+Na-2H]- 359.293146 191.3
[M]+ 338.31793142 203.4
[M]- 338.31902858 203.4
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