CID 12091724

955359-35-0

Structural Information

Molecular Formula
C20H26O3
SMILES
CC(C)(C)C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)OC)O)O
InChI
InChI=1S/C20H26O3/c1-20(2,3)16-9-5-14(6-10-16)18(21)13-19(22)15-7-11-17(23-4)12-8-15/h5-12,18-19,21-22H,13H2,1-4H3
InChIKey
GTIRDWBOUTYFQO-UHFFFAOYSA-N
Compound name
1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

33
Patents

314.1882 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.195476 177.1
[M+Na]+ 337.177418 181.7
[M-H]- 313.180924 180.8
[M+NH4]+ 332.222023 190.3
[M+K]+ 353.151358 178.2
[M+H-H2O]+ 297.185460 170.0
[M+HCOO]- 359.186401 193.5
[M+CH3COO]- 373.202051 204.9
[M+Na-2H]- 335.162866 178.1
[M]+ 314.18765142 177.9
[M]- 314.18874858 177.9
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

patents stripe