CID 102937

1,4-dihydro-1,4-methano-5,8-naphthalenediol

Structural Information

Molecular Formula
C11H10O2
SMILES
C1C2C=CC1C3=C(C=CC(=C23)O)O
InChI
InChI=1S/C11H10O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h1-4,6-7,12-13H,5H2
InChIKey
PQZMLJBZPCMYDX-UHFFFAOYSA-N
Compound name
tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

68
Patents

174.06808 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07536 134.8
[M+Na]+ 197.05730 145.3
[M-H]- 173.06080 137.5
[M+NH4]+ 192.10190 160.7
[M+K]+ 213.03124 141.0
[M+H-H2O]+ 157.06534 131.7
[M+HCOO]- 219.06628 155.8
[M+CH3COO]- 233.08193 149.1
[M+Na-2H]- 195.04275 140.2
[M]+ 174.06753 135.6
[M]- 174.06863 135.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe