CID 205531

18144-60-0

Structural Information

Molecular Formula
C15H17NO3
SMILES
C1CCN(CC1)C(=O)C2CC3=CC=CC=C3OC2=O
InChI
InChI=1S/C15H17NO3/c17-14(16-8-4-1-5-9-16)12-10-11-6-2-3-7-13(11)19-15(12)18/h2-3,6-7,12H,1,4-5,8-10H2
InChIKey
JCMQWYCAGCCUFB-UHFFFAOYSA-N
Compound name
3-(piperidine-1-carbonyl)-3,4-dihydrochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.12085 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12813 158.1
[M+Na]+ 282.11007 162.6
[M-H]- 258.11357 163.6
[M+NH4]+ 277.15467 172.4
[M+K]+ 298.08401 160.6
[M+H-H2O]+ 242.11811 149.5
[M+HCOO]- 304.11905 172.4
[M+CH3COO]- 318.13470 194.4
[M+Na-2H]- 280.09552 161.9
[M]+ 259.12030 153.1
[M]- 259.12140 153.1
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.