CID 28915

18144-53-1

Structural Information

Molecular Formula
C16H17NO3
SMILES
C1CCN(CC1)C(=O)CC2=CC3=CC=CC=C3OC2=O
InChI
InChI=1S/C16H17NO3/c18-15(17-8-4-1-5-9-17)11-13-10-12-6-2-3-7-14(12)20-16(13)19/h2-3,6-7,10H,1,4-5,8-9,11H2
InChIKey
CQGMUUOGAPIUAY-UHFFFAOYSA-N
Compound name
3-(2-oxo-2-piperidin-1-ylethyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.12085 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12813 160.6
[M+Na]+ 294.11007 166.7
[M-H]- 270.11357 166.6
[M+NH4]+ 289.15467 174.6
[M+K]+ 310.08401 164.1
[M+H-H2O]+ 254.11811 151.7
[M+HCOO]- 316.11905 177.4
[M+CH3COO]- 330.13470 171.6
[M+Na-2H]- 292.09552 165.8
[M]+ 271.12030 158.7
[M]- 271.12140 158.7
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.