CID 3064425

102128-78-9

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CNC(=O)CCNCC1COC2=CC=CC=C2O1
InChI
InChI=1S/C13H18N2O3/c1-14-13(16)6-7-15-8-10-9-17-11-4-2-3-5-12(11)18-10/h2-5,10,15H,6-9H2,1H3,(H,14,16)
InChIKey
ZTWTVQAXEPWJMT-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.13174 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.139016 157.6
[M+Na]+ 273.120958 161.9
[M-H]- 249.124464 162.4
[M+NH4]+ 268.165563 172.3
[M+K]+ 289.094898 161.9
[M+H-H2O]+ 233.129000 150.0
[M+HCOO]- 295.129941 177.8
[M+CH3COO]- 309.145591 198.5
[M+Na-2H]- 271.106406 165.3
[M]+ 250.13119142 157.9
[M]- 250.13228858 157.9
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

No patent data available for this compound.