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

219
Patents

218.13068 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13796 157.2
[M+Na]+ 241.11990 164.9
[M-H]- 217.12340 161.2
[M+NH4]+ 236.16450 186.6
[M+K]+ 257.09384 161.9
[M+H-H2O]+ 201.12794 155.4
[M+HCOO]- 263.12888 175.5
[M+CH3COO]- 277.14453 169.9
[M+Na-2H]- 239.10535 155.5
[M]+ 218.13013 158.9
[M]- 218.13123 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