CID 44134573

Dtxsid50939957

Structural Information

Molecular Formula
C20H22O2
SMILES
C1CCC2=C(C1)C=CC(=C2C3C(CCC4=CC=CC=C34)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/h1,3,5,7,10,12,17,19,21-22H,2,4,6,8-9,11H2
InChIKey
JBCBYNGJYXMUKI-UHFFFAOYSA-N
Compound name
1-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

294.162 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.169276 168.2
[M+Na]+ 317.151218 173.4
[M-H]- 293.154724 173.0
[M+NH4]+ 312.195823 184.0
[M+K]+ 333.125158 167.1
[M+H-H2O]+ 277.159260 160.3
[M+HCOO]- 339.160201 181.5
[M+CH3COO]- 353.175851 177.6
[M+Na-2H]- 315.136666 171.5
[M]+ 294.16145142 161.7
[M]- 294.16254858 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

patents stripe