CID 4201081

4,4'-propane-1,1-diyldiphenol

Structural Information

Molecular Formula
C15H16O2
SMILES
CCC(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C15H16O2/c1-2-15(11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,15-17H,2H2,1H3
InChIKey
YKPAABNCNAGAAJ-UHFFFAOYSA-N
Compound name
4-[1-(4-hydroxyphenyl)propyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

16798
Patents

228.11504 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.12232 151.5
[M+Na]+ 251.10426 158.4
[M-H]- 227.10776 155.8
[M+NH4]+ 246.14886 168.2
[M+K]+ 267.07820 154.1
[M+H-H2O]+ 211.11230 144.9
[M+HCOO]- 273.11324 172.0
[M+CH3COO]- 287.12889 187.1
[M+Na-2H]- 249.08971 155.5
[M]+ 228.11449 150.3
[M]- 228.11559 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe