CID 44150335

93841-45-3

Structural Information

Molecular Formula
C26H34O2
SMILES
C1CC2CC1C3C2CC(C3)C4=C(C=CC(=C4C5CC6C7CCC(C7)C6C5)O)O
InChI
InChI=1S/C26H34O2/c27-23-5-6-24(28)26(18-11-21-15-3-4-16(8-15)22(21)12-18)25(23)17-9-19-13-1-2-14(7-13)20(19)10-17/h5-6,13-22,27-28H,1-4,7-12H2
InChIKey
LRUURYXTKSHHJY-UHFFFAOYSA-N
Compound name
2,3-bis(4-tricyclo[5.2.1.02,6]decanyl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.2559 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.26318 194.0
[M+Na]+ 401.24512 198.0
[M-H]- 377.24862 203.4
[M+NH4]+ 396.28972 219.3
[M+K]+ 417.21906 191.9
[M+H-H2O]+ 361.25316 194.6
[M+HCOO]- 423.25410 205.1
[M+CH3COO]- 437.26975 202.7
[M+Na-2H]- 399.23057 181.1
[M]+ 378.25535 190.4
[M]- 378.25645 190.4
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.