CID 28921

18144-59-7

Structural Information

Molecular Formula
C16H18N2O3
SMILES
C1CCN(CC1)C(=O)CC2=CC3=C(C=CC(=C3)N)OC2=O
InChI
InChI=1S/C16H18N2O3/c17-13-4-5-14-11(9-13)8-12(16(20)21-14)10-15(19)18-6-2-1-3-7-18/h4-5,8-9H,1-3,6-7,10,17H2
InChIKey
BMYCFOKWCXDLQE-UHFFFAOYSA-N
Compound name
6-amino-3-(2-oxo-2-piperidin-1-ylethyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.13174 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13902 165.6
[M+Na]+ 309.12096 171.8
[M-H]- 285.12446 171.5
[M+NH4]+ 304.16556 178.7
[M+K]+ 325.09490 168.8
[M+H-H2O]+ 269.12900 156.7
[M+HCOO]- 331.12994 182.8
[M+CH3COO]- 345.14559 202.5
[M+Na-2H]- 307.10641 169.6
[M]+ 286.13119 162.6
[M]- 286.13229 162.6
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.