CID 11218292

2-methyl-2-adamantyl acrylate

Structural Information

Molecular Formula
C14H20O2
SMILES
CC1(C2CC3CC(C2)CC1C3)OC(=O)C=C
InChI
InChI=1S/C14H20O2/c1-3-13(15)16-14(2)11-5-9-4-10(7-11)8-12(14)6-9/h3,9-12H,1,4-8H2,2H3
InChIKey
YRPLSAWATHBYFB-UHFFFAOYSA-N
Compound name
(2-methyl-2-adamantyl) prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4169
Patents

220.14633 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.15361 153.8
[M+Na]+ 243.13555 156.3
[M-H]- 219.13905 149.1
[M+NH4]+ 238.18015 179.1
[M+K]+ 259.10949 153.0
[M+H-H2O]+ 203.14359 148.0
[M+HCOO]- 265.14453 160.0
[M+CH3COO]- 279.16018 162.4
[M+Na-2H]- 241.12100 162.3
[M]+ 220.14578 154.7
[M]- 220.14688 154.7
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