CID 9813645

2-ethyl-2-adamantyl methacrylate

Structural Information

Molecular Formula
C16H24O2
SMILES
CCC1(C2CC3CC(C2)CC1C3)OC(=O)C(=C)C
InChI
InChI=1S/C16H24O2/c1-4-16(18-15(17)10(2)3)13-6-11-5-12(8-13)9-14(16)7-11/h11-14H,2,4-9H2,1,3H3
InChIKey
DCTVCFJTKSQXED-UHFFFAOYSA-N
Compound name
(2-ethyl-2-adamantyl) 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3783
Patents

248.17763 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.18491 163.8
[M+Na]+ 271.16685 165.0
[M-H]- 247.17035 158.6
[M+NH4]+ 266.21145 187.8
[M+K]+ 287.14079 161.9
[M+H-H2O]+ 231.17489 157.9
[M+HCOO]- 293.17583 168.2
[M+CH3COO]- 307.19148 171.3
[M+Na-2H]- 269.15230 170.1
[M]+ 248.17708 164.7
[M]- 248.17818 164.7
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