CID 269443

1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphth-2-yl acetate

Structural Information

Molecular Formula
C14H18O2
SMILES
CC(=O)OC1CC2CC1C3C2C4CC3C=C4
InChI
InChI=1S/C14H18O2/c1-7(15)16-12-6-10-5-11(12)14-9-3-2-8(4-9)13(10)14/h2-3,8-14H,4-6H2,1H3
InChIKey
ODYDQOOXSVNMCJ-UHFFFAOYSA-N
Compound name
4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

218.13068 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.137956 157.2
[M+Na]+ 241.119898 164.9
[M-H]- 217.123404 161.2
[M+NH4]+ 236.164503 186.6
[M+K]+ 257.093838 161.9
[M+H-H2O]+ 201.127940 155.4
[M+HCOO]- 263.128881 175.5
[M+CH3COO]- 277.144531 169.9
[M+Na-2H]- 239.105346 155.5
[M]+ 218.13013142 158.9
[M]- 218.13122858 158.9
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