CID 3694111

65355-00-2

Structural Information

Molecular Formula
C20H22O2
SMILES
C1CCC2=C(C1)C=CC(=C2C3=C(C=CC4=C3CCCC4)O)O
InChI
InChI=1S/C20H22O2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h9-12,21-22H,1-8H2
InChIKey
UTXIFKBYNJRJPH-UHFFFAOYSA-N
Compound name
1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

196
Patents

294.162 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16928 168.2
[M+Na]+ 317.15122 173.4
[M-H]- 293.15472 173.0
[M+NH4]+ 312.19582 184.0
[M+K]+ 333.12516 167.1
[M+H-H2O]+ 277.15926 160.3
[M+HCOO]- 339.16020 181.5
[M+CH3COO]- 353.17585 177.6
[M+Na-2H]- 315.13667 171.5
[M]+ 294.16145 161.7
[M]- 294.16255 161.7
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

No patent data available for this compound.