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 152.9
[M+Na]+ 259.10531 157.7
[M-H]- 235.10881 158.0
[M+NH4]+ 254.14991 168.2
[M+K]+ 275.07925 157.9
[M+H-H2O]+ 219.11335 145.6
[M+HCOO]- 281.11429 173.4
[M+CH3COO]- 295.12994 195.5
[M+Na-2H]- 257.09076 161.2
[M]+ 236.11554 152.9
[M]- 236.11664 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.