CID 621766

1,1'-binaphthalene, 5,5',6,6',7,7',8,8'-octahydro-

Structural Information

Molecular Formula
C20H22
SMILES
C1CCC2=C(C1)C=CC=C2C3=CC=CC4=C3CCCC4
InChI
InChI=1S/C20H22/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20/h5-6,9-10,13-14H,1-4,7-8,11-12H2
InChIKey
HKHVYYUMYNTLOO-UHFFFAOYSA-N
Compound name
5-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

262.17215 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.179426 161.0
[M+Na]+ 285.161368 165.4
[M-H]- 261.164874 167.7
[M+NH4]+ 280.205973 178.9
[M+K]+ 301.135308 159.2
[M+H-H2O]+ 245.169410 152.2
[M+HCOO]- 307.170351 177.0
[M+CH3COO]- 321.186001 171.3
[M+Na-2H]- 283.146816 166.2
[M]+ 262.17160142 154.2
[M]- 262.17269858 154.2
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