CID 91693878

N-acetyl-3,4-methylenedioxymethcathinone

Structural Information

Molecular Formula
C13H15NO4
SMILES
CC(C(=O)C1=CC2=C(C=C1)OCO2)N(C)C(=O)C
InChI
InChI=1S/C13H15NO4/c1-8(14(3)9(2)15)13(16)10-4-5-11-12(6-10)18-7-17-11/h4-6,8H,7H2,1-3H3
InChIKey
SFBOFEWMUYVYDF-UHFFFAOYSA-N
Compound name
N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

249.10011 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10739 157.1
[M+Na]+ 272.08933 163.0
[M-H]- 248.09283 164.1
[M+NH4]+ 267.13393 174.5
[M+K]+ 288.06327 165.2
[M+H-H2O]+ 232.09737 151.2
[M+HCOO]- 294.09831 177.3
[M+CH3COO]- 308.11396 199.5
[M+Na-2H]- 270.07478 160.0
[M]+ 249.09956 161.0
[M]- 249.10066 161.0
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