CID 70044

837-08-1

Structural Information

Molecular Formula
C15H16O2
SMILES
CC(C)(C1=CC=C(C=C1)O)C2=CC=CC=C2O
InChI
InChI=1S/C15H16O2/c1-15(2,11-7-9-12(16)10-8-11)13-5-3-4-6-14(13)17/h3-10,16-17H,1-2H3
InChIKey
MLCQXUZZAXKTSG-UHFFFAOYSA-N
Compound name
2-[2-(4-hydroxyphenyl)propan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1231
Patents

228.11504 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.12232 152.4
[M+Na]+ 251.10426 166.7
[M+NH4]+ 246.14886 160.9
[M+K]+ 267.07820 159.9
[M-H]- 227.10776 156.1
[M+Na-2H]- 249.08971 161.4
[M]+ 228.11449 155.7
[M]- 228.11559 155.7
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