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]+ 290.13868 165.6
[M+Na]+ 312.12062 172.5
[M-H]- 288.12412 169.6
[M+NH4]+ 307.16522 178.1
[M+K]+ 328.09456 169.0
[M+H-H2O]+ 272.12866 157.3
[M+HCOO]- 334.12960 180.4
[M+CH3COO]- 348.14525 197.1
[M+Na-2H]- 310.10607 169.8
[M]+ 289.13085 163.9
[M]- 289.13195 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.