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
2
Annotation Hits

0
References

342
Patents

176.08372 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 136.5
[M+Na]+ 199.072938 145.9
[M-H]- 175.076444 138.6
[M+NH4]+ 194.117543 162.2
[M+K]+ 215.046878 141.8
[M+H-H2O]+ 159.080980 133.4
[M+HCOO]- 221.081921 155.9
[M+CH3COO]- 235.097571 150.2
[M+Na-2H]- 197.058386 140.9
[M]+ 176.08317142 135.8
[M]- 176.08426858 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