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
2
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]+ 250.107386 157.1
[M+Na]+ 272.089328 163.0
[M-H]- 248.092834 164.1
[M+NH4]+ 267.133933 174.5
[M+K]+ 288.063268 165.2
[M+H-H2O]+ 232.097370 151.2
[M+HCOO]- 294.098311 177.3
[M+CH3COO]- 308.113961 199.5
[M+Na-2H]- 270.074776 160.0
[M]+ 249.09956142 161.0
[M]- 249.10065858 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