CID 656692

142648-65-5

Structural Information

Molecular Formula
C15H16O3
SMILES
CC(CO)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C15H16O3/c1-15(10-16,11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-9,16-18H,10H2,1H3
InChIKey
HHOUSCIEKLBSGQ-UHFFFAOYSA-N
Compound name
4-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

52
Patents

244.10994 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11722 156.0
[M+Na]+ 267.09916 169.1
[M+NH4]+ 262.14376 163.5
[M+K]+ 283.07310 163.3
[M-H]- 243.10266 158.6
[M+Na-2H]- 265.08461 163.8
[M]+ 244.10939 158.6
[M]- 244.11049 158.6
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