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]+ 197.080836 139.9
[M+Na]+ 219.062778 147.9
[M-H]- 195.066284 140.3
[M+NH4]+ 214.107383 157.7
[M+K]+ 235.036718 145.8
[M+H-H2O]+ 179.070820 135.1
[M+HCOO]- 241.071761 158.6
[M+CH3COO]- 255.087411 179.5
[M+Na-2H]- 217.048226 141.5
[M]+ 196.07301142 139.5
[M]- 196.07410858 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