CID 12713

2-ethylhexyl methacrylate

Structural Information

Molecular Formula
C12H22O2
SMILES
CCCCC(CC)COC(=O)C(=C)C
InChI
InChI=1S/C12H22O2/c1-5-7-8-11(6-2)9-14-12(13)10(3)4/h11H,3,5-9H2,1-2,4H3
InChIKey
WDQMWEYDKDCEHT-UHFFFAOYSA-N
Compound name
2-ethylhexyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

9
References

118568
Patents

198.16199 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.16927 150.3
[M+Na]+ 221.15121 155.2
[M-H]- 197.15471 149.9
[M+NH4]+ 216.19581 169.7
[M+K]+ 237.12515 154.5
[M+H-H2O]+ 181.15925 145.1
[M+HCOO]- 243.16019 170.1
[M+CH3COO]- 257.17584 189.3
[M+Na-2H]- 219.13666 150.6
[M]+ 198.16144 153.4
[M]- 198.16254 153.4
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