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

19
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 159.8
[M+Na]+ 279.13555 168.0
[M-H]- 255.13905 165.9
[M+NH4]+ 274.18015 176.8
[M+K]+ 295.10949 164.3
[M+H-H2O]+ 239.14359 153.3
[M+HCOO]- 301.14453 180.6
[M+CH3COO]- 315.16018 195.7
[M+Na-2H]- 277.12100 164.5
[M]+ 256.14578 161.7
[M]- 256.14688 161.7
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