CID 132988636

6-methoxy methylone

Structural Information

Molecular Formula
C12H15NO4
SMILES
CC(C(=O)C1=CC2=C(C=C1OC)OCO2)NC
InChI
InChI=1S/C12H15NO4/c1-7(13-2)12(14)8-4-10-11(17-6-16-10)5-9(8)15-3/h4-5,7,13H,6H2,1-3H3
InChIKey
SONSUHOOEIVPFR-UHFFFAOYSA-N
Compound name
1-(6-methoxy-1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

237.10011 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 152.7
[M+Na]+ 260.08933 159.7
[M-H]- 236.09283 158.6
[M+NH4]+ 255.13393 170.3
[M+K]+ 276.06327 160.8
[M+H-H2O]+ 220.09737 147.0
[M+HCOO]- 282.09831 173.5
[M+CH3COO]- 296.11396 194.8
[M+Na-2H]- 258.07478 157.4
[M]+ 237.09956 156.8
[M]- 237.10066 156.8
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

No patent data available for this compound.