CID 3788229

100254-21-5

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CCNCC(=O)NC1=CC2=C(C=C1)OCCO2
InChI
InChI=1S/C12H16N2O3/c1-2-13-8-12(15)14-9-3-4-10-11(7-9)17-6-5-16-10/h3-4,7,13H,2,5-6,8H2,1H3,(H,14,15)
InChIKey
JJHSEKNXDPQZTE-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

236.11609 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.123366 152.9
[M+Na]+ 259.105308 157.7
[M-H]- 235.108814 158.0
[M+NH4]+ 254.149913 168.2
[M+K]+ 275.079248 157.9
[M+H-H2O]+ 219.113350 145.6
[M+HCOO]- 281.114291 173.4
[M+CH3COO]- 295.129941 195.5
[M+Na-2H]- 257.090756 161.2
[M]+ 236.11554142 152.9
[M]- 236.11663858 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.