CID 10015322

Piperidine, 1-((1-oxo-1h-2-benzopyran-4-yl)carbonyl)-

Structural Information

Molecular Formula
C15H15NO3
SMILES
C1CCN(CC1)C(=O)C2=COC(=O)C3=CC=CC=C32
InChI
InChI=1S/C15H15NO3/c17-14(16-8-4-1-5-9-16)13-10-19-15(18)12-7-3-2-6-11(12)13/h2-3,6-7,10H,1,4-5,8-9H2
InChIKey
KOURANDLSLPUPE-UHFFFAOYSA-N
Compound name
4-(piperidine-1-carbonyl)isochromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1052 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.112476 155.9
[M+Na]+ 280.094418 162.5
[M-H]- 256.097924 162.2
[M+NH4]+ 275.139023 170.5
[M+K]+ 296.068358 160.1
[M+H-H2O]+ 240.102460 147.2
[M+HCOO]- 302.103401 173.1
[M+CH3COO]- 316.119051 167.3
[M+Na-2H]- 278.079866 161.6
[M]+ 257.10465142 153.7
[M]- 257.10574858 153.7
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.