CID 8872

Hexyl methacrylate

Structural Information

Molecular Formula
C10H18O2
SMILES
CCCCCCOC(=O)C(=C)C
InChI
InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h2,4-8H2,1,3H3
InChIKey
LNCPIMCVTKXXOY-UHFFFAOYSA-N
Compound name
hexyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

26
References

64850
Patents

170.13068 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 140.9
[M+Na]+ 193.11990 146.8
[M-H]- 169.12340 140.8
[M+NH4]+ 188.16450 161.5
[M+K]+ 209.09384 146.2
[M+H-H2O]+ 153.12794 136.0
[M+HCOO]- 215.12888 162.4
[M+CH3COO]- 229.14453 182.4
[M+Na-2H]- 191.10535 143.5
[M]+ 170.13013 143.9
[M]- 170.13123 143.9
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

No patent data available for this compound.