CID 43184611

1000931-36-1

Structural Information

Molecular Formula
C14H18N2O3
SMILES
C1CN(CCC1N)C(=O)C2COC3=CC=CC=C3O2
InChI
InChI=1S/C14H18N2O3/c15-10-5-7-16(8-6-10)14(17)13-9-18-11-3-1-2-4-12(11)19-13/h1-4,10,13H,5-9,15H2
InChIKey
NTJRIKIDGGEIGE-UHFFFAOYSA-N
Compound name
(4-aminopiperidin-1-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.139016 160.5
[M+Na]+ 285.120958 164.5
[M-H]- 261.124464 166.2
[M+NH4]+ 280.165563 172.9
[M+K]+ 301.094898 163.8
[M+H-H2O]+ 245.129000 151.7
[M+HCOO]- 307.129941 174.4
[M+CH3COO]- 321.145591 170.4
[M+Na-2H]- 283.106406 164.8
[M]+ 262.13119142 154.9
[M]- 262.13228858 154.9
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.