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

6
Patents

196.07356 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.080836 140.2
[M+Na]+ 219.062778 148.0
[M-H]- 195.066284 140.5
[M+NH4]+ 214.107383 157.9
[M+K]+ 235.036718 145.8
[M+H-H2O]+ 179.070820 135.8
[M+HCOO]- 241.071761 158.4
[M+CH3COO]- 255.087411 177.6
[M+Na-2H]- 217.048226 144.7
[M]+ 196.07301142 139.6
[M]- 196.07410858 139.6
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