CID 6620

79-97-0

Structural Information

Molecular Formula
C17H20O2
SMILES
CC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)O)C)O
InChI
InChI=1S/C17H20O2/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h5-10,18-19H,1-4H3
InChIKey
YMTYZTXUZLQUSF-UHFFFAOYSA-N
Compound name
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

32159
Patents

256.14633 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.15361 161.1
[M+Na]+ 279.13555 175.7
[M+NH4]+ 274.18015 169.3
[M+K]+ 295.10949 168.9
[M-H]- 255.13905 164.8
[M+Na-2H]- 277.12100 169.1
[M]+ 256.14578 164.5
[M]- 256.14688 164.5
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