CID 13980872

4,4'-(pentane-2,2-diyl)diphenol

Structural Information

Molecular Formula
C17H20O2
SMILES
CCCC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C17H20O2/c1-3-12-17(2,13-4-8-15(18)9-5-13)14-6-10-16(19)11-7-14/h4-11,18-19H,3,12H2,1-2H3
InChIKey
WCUDAIJOADOKAW-UHFFFAOYSA-N
Compound name
4-[2-(4-hydroxyphenyl)pentan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8183
Patents

256.14633 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.15361 160.6
[M+Na]+ 279.13555 167.3
[M-H]- 255.13905 164.7
[M+NH4]+ 274.18015 176.4
[M+K]+ 295.10949 162.6
[M+H-H2O]+ 239.14359 154.1
[M+HCOO]- 301.14453 179.8
[M+CH3COO]- 315.16018 192.7
[M+Na-2H]- 277.12100 165.5
[M]+ 256.14578 160.2
[M]- 256.14688 160.2
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