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

195
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 144.4
[M+Na]+ 199.10934 152.8
[M-H]- 175.11284 147.4
[M+NH4]+ 194.15394 175.0
[M+K]+ 215.08328 149.1
[M+H-H2O]+ 159.11738 142.9
[M+HCOO]- 221.11832 162.8
[M+CH3COO]- 235.13397 157.7
[M+Na-2H]- 197.09479 144.5
[M]+ 176.11957 143.9
[M]- 176.12067 143.9
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