CID 10945053

Schembl278255

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2124
Patents

256.14633 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.15361 160.1
[M+Na]+ 279.13555 166.5
[M-H]- 255.13905 164.4
[M+NH4]+ 274.18015 175.8
[M+K]+ 295.10949 162.4
[M+H-H2O]+ 239.14359 153.8
[M+HCOO]- 301.14453 178.4
[M+CH3COO]- 315.16018 193.6
[M+Na-2H]- 277.12100 163.9
[M]+ 256.14578 159.2
[M]- 256.14688 159.2
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