CID 616296

3',5'-bis(tert-butyl)-4'-hydroxyacetophenone

Structural Information

Molecular Formula
C16H24O2
SMILES
CC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C16H24O2/c1-10(17)11-8-12(15(2,3)4)14(18)13(9-11)16(5,6)7/h8-9,18H,1-7H3
InChIKey
WGJPGMJLARWHRK-UHFFFAOYSA-N
Compound name
1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

216
Patents

248.17763 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.18491 157.4
[M+Na]+ 271.16685 165.3
[M-H]- 247.17035 160.4
[M+NH4]+ 266.21145 175.3
[M+K]+ 287.14079 163.0
[M+H-H2O]+ 231.17489 153.0
[M+HCOO]- 293.17583 174.8
[M+CH3COO]- 307.19148 196.9
[M+Na-2H]- 269.15230 160.2
[M]+ 248.17708 159.7
[M]- 248.17818 159.7
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