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]+ 208.096816 144.4
[M+Na]+ 230.078758 151.4
[M-H]- 206.082264 150.0
[M+NH4]+ 225.123363 163.1
[M+K]+ 246.052698 151.7
[M+H-H2O]+ 190.086800 138.7
[M+HCOO]- 252.087741 166.4
[M+CH3COO]- 266.103391 187.4
[M+Na-2H]- 228.064206 151.4
[M]+ 207.08899142 147.0
[M]- 207.09008858 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