CID 44148702

93924-02-8

Structural Information

Molecular Formula
C26H32O2
SMILES
CC1=CC(=CC(=C1O)C)C2CC3C4CCC(C4)C3C2C5=CC(=C(C(=C5)C)O)C
InChI
InChI=1S/C26H32O2/c1-13-7-19(8-14(2)25(13)27)22-12-21-17-5-6-18(11-17)23(21)24(22)20-9-15(3)26(28)16(4)10-20/h7-10,17-18,21-24,27-28H,5-6,11-12H2,1-4H3
InChIKey
NTNHMKQNPOAEHC-UHFFFAOYSA-N
Compound name
4-[3-(4-hydroxy-3,5-dimethylphenyl)-4-tricyclo[5.2.1.02,6]decanyl]-2,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.24023 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.24751 196.0
[M+Na]+ 399.22945 204.0
[M-H]- 375.23295 205.0
[M+NH4]+ 394.27405 215.9
[M+K]+ 415.20339 196.7
[M+H-H2O]+ 359.23749 192.2
[M+HCOO]- 421.23843 210.7
[M+CH3COO]- 435.25408 206.1
[M+Na-2H]- 397.21490 187.8
[M]+ 376.23968 195.9
[M]- 376.24078 195.9
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.