CID 83393

1-(2,4,6-trihydroxy-3,5-dimethylphenyl)ethanone

Structural Information

Molecular Formula
C10H12O4
SMILES
CC1=C(C(=C(C(=C1O)C(=O)C)O)C)O
InChI
InChI=1S/C10H12O4/c1-4-8(12)5(2)10(14)7(6(3)11)9(4)13/h12-14H,1-3H3
InChIKey
GIMGGNBXMNVHHR-UHFFFAOYSA-N
Compound name
1-(2,4,6-trihydroxy-3,5-dimethylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

196.07356 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.080836 138.4
[M+Na]+ 219.062778 148.5
[M-H]- 195.066284 139.5
[M+NH4]+ 214.107383 156.8
[M+K]+ 235.036718 146.0
[M+H-H2O]+ 179.070820 134.1
[M+HCOO]- 241.071761 158.1
[M+CH3COO]- 255.087411 181.2
[M+Na-2H]- 217.048226 140.0
[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