CID 44147412

Octahydro-4,7-methano-1h-indenyl acetate

Structural Information

Molecular Formula
C12H18O2
SMILES
CC(=O)OC1CCC2C1C3CCC2C3
InChI
InChI=1S/C12H18O2/c1-7(13)14-11-5-4-10-8-2-3-9(6-8)12(10)11/h8-12H,2-6H2,1H3
InChIKey
ZDOPVTMGWXOTQX-UHFFFAOYSA-N
Compound name
3-tricyclo[5.2.1.02,6]decanyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.13068 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.137956 149.6
[M+Na]+ 217.119898 156.1
[M-H]- 193.123404 153.2
[M+NH4]+ 212.164503 176.8
[M+K]+ 233.093838 154.0
[M+H-H2O]+ 177.127940 146.3
[M+HCOO]- 239.128881 168.4
[M+CH3COO]- 253.144531 184.9
[M+Na-2H]- 215.105346 148.9
[M]+ 194.13013142 148.7
[M]- 194.13122858 148.7
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.