CID 10955092

1-adamantyl methacrylate

Structural Information

Molecular Formula
C14H20O2
SMILES
CC(=C)C(=O)OC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C14H20O2/c1-9(2)13(15)16-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,1,3-8H2,2H3
InChIKey
MZVABYGYVXBZDP-UHFFFAOYSA-N
Compound name
1-adamantyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

7541
Patents

220.14633 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.153606 154.3
[M+Na]+ 243.135548 155.6
[M-H]- 219.139054 149.3
[M+NH4]+ 238.180153 179.2
[M+K]+ 259.109488 152.8
[M+H-H2O]+ 203.143590 148.5
[M+HCOO]- 265.144531 159.6
[M+CH3COO]- 279.160181 162.4
[M+Na-2H]- 241.120996 162.3
[M]+ 220.14578142 154.3
[M]- 220.14687858 154.3
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