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

192
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

literature stripe

Patent stripe

patents stripe