CID 428925

Nsc245059

Structural Information

Molecular Formula
C12H16O
SMILES
C1C2CC(C1C3C2C4CC3C=C4)O
InChI
InChI=1S/C12H16O/c13-10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h1-2,6-13H,3-5H2
InChIKey
MFZJGMQSIBNILS-UHFFFAOYSA-N
Compound name
tetracyclo[6.2.1.13,6.02,7]dodec-9-en-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
Patents

176.12012 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12740 137.9
[M+Na]+ 199.10934 145.2
[M+NH4]+ 194.15394 149.1
[M+K]+ 215.08328 146.5
[M-H]- 175.11284 137.9
[M+Na-2H]- 197.09479 135.6
[M]+ 176.11957 138.6
[M]- 176.12067 138.6
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