CID 3064381

102071-89-6

Structural Information

Molecular Formula
C17H24N2O3
SMILES
C1CCN(CC1)C(=O)CCNCC2COC3=CC=CC=C3O2
InChI
InChI=1S/C17H24N2O3/c20-17(19-10-4-1-5-11-19)8-9-18-12-14-13-21-15-6-2-3-7-16(15)22-14/h2-3,6-7,14,18H,1,4-5,8-13H2
InChIKey
PGCODBUYWMENSY-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.17868 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.18596 174.4
[M+Na]+ 327.16790 184.9
[M+NH4]+ 322.21250 181.8
[M+K]+ 343.14184 178.6
[M-H]- 303.17140 180.6
[M+Na-2H]- 325.15335 178.2
[M]+ 304.17813 177.4
[M]- 304.17923 177.4
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.