CID 56828263

7-hydroxy-4-{[4-(hydroxymethyl)piperidin-1-yl]methyl}-2h-chromen-2-one

Structural Information

Molecular Formula
C16H19NO4
SMILES
C1CN(CCC1CO)CC2=CC(=O)OC3=C2C=CC(=C3)O
InChI
InChI=1S/C16H19NO4/c18-10-11-3-5-17(6-4-11)9-12-7-16(20)21-15-8-13(19)1-2-14(12)15/h1-2,7-8,11,18-19H,3-6,9-10H2
InChIKey
JOKJIQGQZNJJBS-UHFFFAOYSA-N
Compound name
7-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1314 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.138676 165.6
[M+Na]+ 312.120618 172.5
[M-H]- 288.124124 169.6
[M+NH4]+ 307.165223 178.1
[M+K]+ 328.094558 169.0
[M+H-H2O]+ 272.128660 157.3
[M+HCOO]- 334.129601 180.4
[M+CH3COO]- 348.145251 197.1
[M+Na-2H]- 310.106066 169.8
[M]+ 289.13085142 163.9
[M]- 289.13194858 163.9
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.