CID 3064424

102128-77-8

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CCNC(=O)CCNCC1COC2=CC=CC=C2O1
InChI
InChI=1S/C14H20N2O3/c1-2-16-14(17)7-8-15-9-11-10-18-12-5-3-4-6-13(12)19-11/h3-6,11,15H,2,7-10H2,1H3,(H,16,17)
InChIKey
SXSMVGOQJHWONB-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-ethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 163.0
[M+Na]+ 287.13662 172.9
[M+NH4]+ 282.18122 170.2
[M+K]+ 303.11056 167.2
[M-H]- 263.14012 168.2
[M+Na-2H]- 285.12207 166.3
[M]+ 264.14685 165.6
[M]- 264.14795 165.6
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.