CID 3051499

Brn 2616520

Structural Information

Molecular Formula
C12H16O4
SMILES
CC(C)(C(=O)C1=CC(=C(C=C1)OC)OC)O
InChI
InChI=1S/C12H16O4/c1-12(2,14)11(13)8-5-6-9(15-3)10(7-8)16-4/h5-7,14H,1-4H3
InChIKey
WZZBSLNYMXSUDM-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

224.10486 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.112136 147.9
[M+Na]+ 247.094078 155.7
[M-H]- 223.097584 150.7
[M+NH4]+ 242.138683 165.9
[M+K]+ 263.068018 154.8
[M+H-H2O]+ 207.102120 142.6
[M+HCOO]- 269.103061 168.5
[M+CH3COO]- 283.118711 188.6
[M+Na-2H]- 245.079526 152.4
[M]+ 224.10431142 151.9
[M]- 224.10540858 151.9
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