CID 122542

32213-88-0

Structural Information

Molecular Formula
C17H26O2
SMILES
CC(=O)OC1CC(C23CCC(C2)C(C3=C1)(C)C)(C)C
InChI
InChI=1S/C17H26O2/c1-11(18)19-13-8-14-16(4,5)12-6-7-17(14,9-12)15(2,3)10-13/h8,12-13H,6-7,9-10H2,1-5H3
InChIKey
DMRSABXLZDPVFE-UHFFFAOYSA-N
Compound name
(2,2,7,7-tetramethyl-4-tricyclo[6.2.1.01,6]undec-5-enyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.19327 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.20055 162.4
[M+Na]+ 285.18249 170.8
[M+NH4]+ 280.22709 175.7
[M+K]+ 301.15643 162.7
[M-H]- 261.18599 163.3
[M+Na-2H]- 283.16794 166.7
[M]+ 262.19272 164.2
[M]- 262.19382 164.2
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

No patent data available for this compound.