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

1
Patents

207.08954 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 144.8
[M+Na]+ 230.07876 152.0
[M-H]- 206.08226 152.0
[M+NH4]+ 225.12336 164.2
[M+K]+ 246.05270 153.7
[M+H-H2O]+ 190.08680 139.1
[M+HCOO]- 252.08774 167.4
[M+CH3COO]- 266.10339 190.8
[M+Na-2H]- 228.06421 151.1
[M]+ 207.08899 148.6
[M]- 207.09009 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