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]+ 251.13902 158.5
[M+Na]+ 273.12096 168.6
[M+NH4]+ 268.16556 165.8
[M+K]+ 289.09490 163.1
[M-H]- 249.12446 163.7
[M+Na-2H]- 271.10641 162.1
[M]+ 250.13119 161.1
[M]- 250.13229 161.1
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.