CID 46309

4,4'-biphenyldiol, 2,2'-dipropyl-

Structural Information

Molecular Formula
C18H22O2
SMILES
CCCC1=C(C=CC(=C1)O)C2=C(C=C(C=C2)O)CCC
InChI
InChI=1S/C18H22O2/c1-3-5-13-11-15(19)7-9-17(13)18-10-8-16(20)12-14(18)6-4-2/h7-12,19-20H,3-6H2,1-2H3
InChIKey
UOZBIIYQAXBZNK-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-2-propylphenyl)-3-propylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

270.162 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16928 164.5
[M+Na]+ 293.15122 172.2
[M-H]- 269.15472 168.9
[M+NH4]+ 288.19582 180.2
[M+K]+ 309.12516 166.9
[M+H-H2O]+ 253.15926 157.5
[M+HCOO]- 315.16020 185.0
[M+CH3COO]- 329.17585 197.7
[M+Na-2H]- 291.13667 166.7
[M]+ 270.16145 165.8
[M]- 270.16255 165.8
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