CID 45789647

Methylone

Structural Information

Molecular Formula
C11H13NO3
SMILES
CC(C(=O)C1=CC2=C(C=C1)OCO2)NC
InChI
InChI=1S/C11H13NO3/c1-7(12-2)11(13)8-3-4-9-10(5-8)15-6-14-9/h3-5,7,12H,6H2,1-2H3
InChIKey
VKEQBMCRQDSRET-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

135
References

9861
Patents

207.08954 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 145.3
[M+Na]+ 230.07876 152.0
[M-H]- 206.08226 151.0
[M+NH4]+ 225.12336 164.0
[M+K]+ 246.05270 152.8
[M+H-H2O]+ 190.08680 139.8
[M+HCOO]- 252.08774 166.3
[M+CH3COO]- 266.10339 188.3
[M+Na-2H]- 228.06421 151.1
[M]+ 207.08899 147.2
[M]- 207.09009 147.2
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

No patent data available for this compound.