CID 107071

Tricyclo[5.2.1.02,6]dec-3-en-8-yl pivalate

Structural Information

Molecular Formula
C15H22O2
SMILES
CC(C)(C)C(=O)OC1CC2CC1C3C2C=CC3
InChI
InChI=1S/C15H22O2/c1-15(2,3)14(16)17-13-8-9-7-12(13)11-6-4-5-10(9)11/h4-5,9-13H,6-8H2,1-3H3
InChIKey
MEAGMJILPLJCFQ-UHFFFAOYSA-N
Compound name
8-tricyclo[5.2.1.02,6]dec-3-enyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

177
Patents

234.16199 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.169266 162.8
[M+Na]+ 257.151208 169.4
[M-H]- 233.154714 166.7
[M+NH4]+ 252.195813 188.7
[M+K]+ 273.125148 167.1
[M+H-H2O]+ 217.159250 160.0
[M+HCOO]- 279.160191 180.5
[M+CH3COO]- 293.175841 193.0
[M+Na-2H]- 255.136656 162.6
[M]+ 234.16144142 163.9
[M]- 234.16253858 163.9
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