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 157.6
[M+Na]+ 273.12096 161.9
[M-H]- 249.12446 162.4
[M+NH4]+ 268.16556 172.3
[M+K]+ 289.09490 161.9
[M+H-H2O]+ 233.12900 150.0
[M+HCOO]- 295.12994 177.8
[M+CH3COO]- 309.14559 198.5
[M+Na-2H]- 271.10641 165.3
[M]+ 250.13119 157.9
[M]- 250.13229 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.