CID 3064382

102071-90-9

Structural Information

Molecular Formula
C16H22N2O3
SMILES
C1CCN(C1)C(=O)CCNCC2COC3=CC=CC=C3O2
InChI
InChI=1S/C16H22N2O3/c19-16(18-9-3-4-10-18)7-8-17-11-13-12-20-14-5-1-2-6-15(14)21-13/h1-2,5-6,13,17H,3-4,7-12H2
InChIKey
FLULXNXDMGDVCT-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.16306 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 168.1
[M+Na]+ 313.15228 171.1
[M-H]- 289.15578 173.9
[M+NH4]+ 308.19688 181.3
[M+K]+ 329.12622 170.1
[M+H-H2O]+ 273.16032 159.7
[M+HCOO]- 335.16126 184.2
[M+CH3COO]- 349.17691 201.5
[M+Na-2H]- 311.13773 171.4
[M]+ 290.16251 165.9
[M]- 290.16361 165.9
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.