CID 91693796

2,3-methylenedioxymethcathinone

Structural Information

Molecular Formula
C11H13NO3
SMILES
CC(C(=O)C1=C2C(=CC=C1)OCO2)NC
InChI
InChI=1S/C11H13NO3/c1-7(12-2)10(13)8-4-3-5-9-11(8)15-6-14-9/h3-5,7,12H,6H2,1-2H3
InChIKey
QZMXFYXIDZEAQA-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-4-yl)-2-(methylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

207.08954 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 145.3
[M+Na]+ 230.078758 152.0
[M-H]- 206.082264 151.0
[M+NH4]+ 225.123363 164.0
[M+K]+ 246.052698 152.8
[M+H-H2O]+ 190.086800 139.8
[M+HCOO]- 252.087741 166.3
[M+CH3COO]- 266.103391 188.3
[M+Na-2H]- 228.064206 151.1
[M]+ 207.08899142 147.2
[M]- 207.09008858 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.