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

189
Patents

176.12012 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.127396 144.4
[M+Na]+ 199.109338 152.8
[M-H]- 175.112844 147.4
[M+NH4]+ 194.153943 175.0
[M+K]+ 215.083278 149.1
[M+H-H2O]+ 159.117380 142.9
[M+HCOO]- 221.118321 162.8
[M+CH3COO]- 235.133971 157.7
[M+Na-2H]- 197.094786 144.5
[M]+ 176.11957142 143.9
[M]- 176.12066858 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