CID 12097425

2-isopropyl-2-methacryloyloxyadamantane

Structural Information

Molecular Formula
C17H26O2
SMILES
CC(C)C1(C2CC3CC(C2)CC1C3)OC(=O)C(=C)C
InChI
InChI=1S/C17H26O2/c1-10(2)16(18)19-17(11(3)4)14-6-12-5-13(8-14)9-15(17)7-12/h11-15H,1,5-9H2,2-4H3
InChIKey
ZMAOPHHNBQIJOQ-UHFFFAOYSA-N
Compound name
(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1228
Patents

262.19327 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.20055 169.0
[M+Na]+ 285.18249 169.4
[M-H]- 261.18599 163.4
[M+NH4]+ 280.22709 192.3
[M+K]+ 301.15643 166.5
[M+H-H2O]+ 245.19053 163.2
[M+HCOO]- 307.19147 171.9
[M+CH3COO]- 321.20712 207.8
[M+Na-2H]- 283.16794 173.5
[M]+ 262.19272 169.4
[M]- 262.19382 169.4
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