CID 85967

16144-91-5

Structural Information

Molecular Formula
C11H12O2
SMILES
C1CC2CC1C3=C(C=CC(=C23)O)O
InChI
InChI=1S/C11H12O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h3-4,6-7,12-13H,1-2,5H2
InChIKey
JYHNNCBQCSLFQM-UHFFFAOYSA-N
Compound name
tricyclo[6.2.1.02,7]undeca-2,4,6-triene-3,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

298
Patents

176.08372 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 134.9
[M+Na]+ 199.07294 145.5
[M+NH4]+ 194.11754 145.0
[M+K]+ 215.04688 143.2
[M-H]- 175.07644 135.6
[M+Na-2H]- 197.05839 136.7
[M]+ 176.08317 136.4
[M]- 176.08427 136.4
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