CID 51507

Tert-butyrophenone, 3',4'-dihydroxy-

Structural Information

Molecular Formula
C11H14O3
SMILES
CC(C)(C)C(=O)C1=CC(=C(C=C1)O)O
InChI
InChI=1S/C11H14O3/c1-11(2,3)10(14)7-4-5-8(12)9(13)6-7/h4-6,12-13H,1-3H3
InChIKey
PYYHPJWXMOZDTP-UHFFFAOYSA-N
Compound name
1-(3,4-dihydroxyphenyl)-2,2-dimethylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

194.0943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 142.3
[M+Na]+ 217.08352 153.5
[M+NH4]+ 212.12812 149.2
[M+K]+ 233.05746 149.6
[M-H]- 193.08702 142.1
[M+Na-2H]- 215.06897 147.0
[M]+ 194.09375 143.7
[M]- 194.09485 143.7
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