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

2996
Patents

174.14085 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.148126 146.5
[M+Na]+ 197.130068 155.0
[M-H]- 173.133574 150.6
[M+NH4]+ 192.174673 177.9
[M+K]+ 213.104008 151.3
[M+H-H2O]+ 157.138110 144.4
[M+HCOO]- 219.139051 165.8
[M+CH3COO]- 233.154701 160.1
[M+Na-2H]- 195.115516 146.0
[M]+ 174.14030142 146.5
[M]- 174.14139858 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