CID 3051378

Propiophenone, 2-methyl-2,3',4'-trihydroxy-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

196.07356 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 141.0
[M+Na]+ 219.06278 151.4
[M+NH4]+ 214.10738 147.1
[M+K]+ 235.03672 148.5
[M-H]- 195.06628 139.8
[M+Na-2H]- 217.04823 144.9
[M]+ 196.07301 141.9
[M]- 196.07411 141.9
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

patents stripe