CID 3076765

1-propanone, 1-(1,3-benzodioxol-5-yl)-3-(methylamino)-, hydrochloride

Structural Information

Molecular Formula
C11H13NO3
SMILES
CNCCC(=O)C1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C11H13NO3/c1-12-5-4-9(13)8-2-3-10-11(6-8)15-7-14-10/h2-3,6,12H,4-5,7H2,1H3
InChIKey
MNMSIKOLAUVHTO-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-3-(methylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

207.08954 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 144.5
[M+Na]+ 230.07876 155.2
[M+NH4]+ 225.12336 152.5
[M+K]+ 246.05270 152.1
[M-H]- 206.08226 148.8
[M+Na-2H]- 228.06421 148.0
[M]+ 207.08899 147.0
[M]- 207.09009 147.0
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