CID 11380007

279218-76-7

Structural Information

Molecular Formula
C17H26O2
SMILES
CC(=C)C(=O)OC(C)(C)C12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C17H26O2/c1-11(2)15(18)19-16(3,4)17-8-12-5-13(9-17)7-14(6-12)10-17/h12-14H,1,5-10H2,2-4H3
InChIKey
WLZMKZGLQVILBX-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1039
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 170.9
[M+Na]+ 285.18249 171.2
[M-H]- 261.18599 165.3
[M+NH4]+ 280.22709 194.2
[M+K]+ 301.15643 168.4
[M+H-H2O]+ 245.19053 165.5
[M+HCOO]- 307.19147 173.4
[M+CH3COO]- 321.20712 206.1
[M+Na-2H]- 283.16794 178.1
[M]+ 262.19272 171.4
[M]- 262.19382 171.4
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