CID 53432605

4-tert-butyl-3-methyl-2-phenoxyphenol

Structural Information

Molecular Formula
C17H20O2
SMILES
CC1=C(C=CC(=C1OC2=CC=CC=C2)O)C(C)(C)C
InChI
InChI=1S/C17H20O2/c1-12-14(17(2,3)4)10-11-15(18)16(12)19-13-8-6-5-7-9-13/h5-11,18H,1-4H3
InChIKey
BVFPQCUMPQVLCU-UHFFFAOYSA-N
Compound name
4-tert-butyl-3-methyl-2-phenoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

256.14633 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.15361 160.9
[M+Na]+ 279.13555 175.7
[M+NH4]+ 274.18015 169.4
[M+K]+ 295.10949 168.3
[M-H]- 255.13905 165.0
[M+Na-2H]- 277.12100 169.7
[M]+ 256.14578 164.4
[M]- 256.14688 164.4
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