CID 5326317

2-methyl-1-(2,4,6-trihydroxyphenyl)propan-1-one

Structural Information

Molecular Formula
C10H12O4
SMILES
CC(C)C(=O)C1=C(C=C(C=C1O)O)O
InChI
InChI=1S/C10H12O4/c1-5(2)10(14)9-7(12)3-6(11)4-8(9)13/h3-5,11-13H,1-2H3
InChIKey
BNEBXEZRBLYBCZ-UHFFFAOYSA-N
Compound name
2-methyl-1-(2,4,6-trihydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

85
Patents

196.07356 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 139.9
[M+Na]+ 219.06278 147.9
[M-H]- 195.06628 140.3
[M+NH4]+ 214.10738 157.7
[M+K]+ 235.03672 145.8
[M+H-H2O]+ 179.07082 135.1
[M+HCOO]- 241.07176 158.6
[M+CH3COO]- 255.08741 179.5
[M+Na-2H]- 217.04823 141.5
[M]+ 196.07301 139.5
[M]- 196.07411 139.5
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

No patent data available for this compound.