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

64
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

literature stripe

Patent stripe

patents stripe