CID 89528

1,4:5,8-dimethanonaphthalene, 1,2,3,4,4a,5,8,8a-octahydro-2-methyl-

Structural Information

Molecular Formula
C13H18
SMILES
CC1CC2CC1C3C2C4CC3C=C4
InChI
InChI=1S/C13H18/c1-7-4-10-6-11(7)13-9-3-2-8(5-9)12(10)13/h2-3,7-13H,4-6H2,1H3
InChIKey
FMZITCJWMYHQFG-UHFFFAOYSA-N
Compound name
9-methyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2967
Patents

174.14085 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.14813 146.5
[M+Na]+ 197.13007 155.0
[M-H]- 173.13357 150.6
[M+NH4]+ 192.17467 177.9
[M+K]+ 213.10401 151.3
[M+H-H2O]+ 157.13811 144.4
[M+HCOO]- 219.13905 165.8
[M+CH3COO]- 233.15470 160.1
[M+Na-2H]- 195.11552 146.0
[M]+ 174.14030 146.5
[M]- 174.14140 146.5
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