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]+ 237.12337 153.9
[M+Na]+ 259.10531 164.2
[M+NH4]+ 254.14991 161.4
[M+K]+ 275.07925 159.0
[M-H]- 235.10881 159.2
[M+Na-2H]- 257.09076 157.8
[M]+ 236.11554 156.6
[M]- 236.11664 156.6
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.