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]+ 305.185956 172.6
[M+Na]+ 327.167898 174.2
[M-H]- 303.171404 177.7
[M+NH4]+ 322.212503 183.1
[M+K]+ 343.141838 173.2
[M+H-H2O]+ 287.175940 162.9
[M+HCOO]- 349.176881 186.0
[M+CH3COO]- 363.192531 205.2
[M+Na-2H]- 325.153346 177.0
[M]+ 304.17813142 168.5
[M]- 304.17922858 168.5
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.