CID 17235

Hexadecyl methacrylate

Structural Information

Molecular Formula
C20H38O2
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(=C)C
InChI
InChI=1S/C20H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19(2)3/h2,4-18H2,1,3H3
InChIKey
ZNAOFAIBVOMLPV-UHFFFAOYSA-N
Compound name
hexadecyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1
References

13084
Patents

310.28717 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.29445 187.1
[M+Na]+ 333.27639 188.7
[M-H]- 309.27989 185.0
[M+NH4]+ 328.32099 202.0
[M+K]+ 349.25033 185.5
[M+H-H2O]+ 293.28443 180.2
[M+HCOO]- 355.28537 205.2
[M+CH3COO]- 369.30102 212.4
[M+Na-2H]- 331.26184 184.2
[M]+ 310.28662 193.9
[M]- 310.28772 193.9
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