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 172.6
[M+Na]+ 327.16790 174.2
[M-H]- 303.17140 177.7
[M+NH4]+ 322.21250 183.1
[M+K]+ 343.14184 173.2
[M+H-H2O]+ 287.17594 162.9
[M+HCOO]- 349.17688 186.0
[M+CH3COO]- 363.19253 205.2
[M+Na-2H]- 325.15335 177.0
[M]+ 304.17813 168.5
[M]- 304.17923 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.