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

310
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 136.5
[M+Na]+ 199.07294 145.9
[M-H]- 175.07644 138.6
[M+NH4]+ 194.11754 162.2
[M+K]+ 215.04688 141.8
[M+H-H2O]+ 159.08098 133.4
[M+HCOO]- 221.08192 155.9
[M+CH3COO]- 235.09757 150.2
[M+Na-2H]- 197.05839 140.9
[M]+ 176.08317 135.8
[M]- 176.08427 135.8
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