CID 200949

1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethanone hydrochloride

Structural Information

Molecular Formula
C11H13NO3
SMILES
CN(C)CC(=O)C1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C11H13NO3/c1-12(2)6-9(13)8-3-4-10-11(5-8)15-7-14-10/h3-5H,6-7H2,1-2H3
InChIKey
ZVEMAAGMJVUOMB-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08954 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 144.8
[M+Na]+ 230.078758 152.0
[M-H]- 206.082264 152.0
[M+NH4]+ 225.123363 164.2
[M+K]+ 246.052698 153.7
[M+H-H2O]+ 190.086800 139.1
[M+HCOO]- 252.087741 167.4
[M+CH3COO]- 266.103391 190.8
[M+Na-2H]- 228.064206 151.1
[M]+ 207.08899142 148.6
[M]- 207.09008858 148.6
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