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]+ 225.11214 147.9
[M+Na]+ 247.09408 155.7
[M-H]- 223.09758 150.7
[M+NH4]+ 242.13868 165.9
[M+K]+ 263.06802 154.8
[M+H-H2O]+ 207.10212 142.6
[M+HCOO]- 269.10306 168.5
[M+CH3COO]- 283.11871 188.6
[M+Na-2H]- 245.07953 152.4
[M]+ 224.10431 151.9
[M]- 224.10541 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