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

11
Patents

270.162 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.169276 164.5
[M+Na]+ 293.151218 172.2
[M-H]- 269.154724 168.9
[M+NH4]+ 288.195823 180.2
[M+K]+ 309.125158 166.9
[M+H-H2O]+ 253.159260 157.5
[M+HCOO]- 315.160201 185.0
[M+CH3COO]- 329.175851 197.7
[M+Na-2H]- 291.136666 166.7
[M]+ 270.16145142 165.8
[M]- 270.16254858 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