CID 107072

3a,4,5,6,7,7a-hexahydro-4,7-methano-1h-inden-5-yl pivalate

Structural Information

Molecular Formula
C15H22O2
SMILES
CC(C)(C)C(=O)OC1CC2CC1C3C2CC=C3
InChI
InChI=1S/C15H22O2/c1-15(2,3)14(16)17-13-8-9-7-12(13)11-6-4-5-10(9)11/h4,6,9-13H,5,7-8H2,1-3H3
InChIKey
SARNDXMIYRKJOG-UHFFFAOYSA-N
Compound name
8-tricyclo[5.2.1.02,6]dec-4-enyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

11
Patents

234.16199 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 162.8
[M+Na]+ 257.15121 169.4
[M-H]- 233.15471 166.7
[M+NH4]+ 252.19581 188.7
[M+K]+ 273.12515 167.1
[M+H-H2O]+ 217.15925 160.0
[M+HCOO]- 279.16019 180.5
[M+CH3COO]- 293.17584 193.0
[M+Na-2H]- 255.13666 162.6
[M]+ 234.16144 163.9
[M]- 234.16254 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