CID 5360358

7-hydroxy-4-methyl-8-(piperidinomethyl)coumarin hydrochloride

Structural Information

Molecular Formula
C16H19NO3
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2CN3CCCCC3)O
InChI
InChI=1S/C16H19NO3/c1-11-9-15(19)20-16-12(11)5-6-14(18)13(16)10-17-7-3-2-4-8-17/h5-6,9,18H,2-4,7-8,10H2,1H3
InChIKey
DIJMIZCQAHRDQL-UHFFFAOYSA-N
Compound name
7-hydroxy-4-methyl-8-(piperidin-1-ylmethyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

273.1365 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.143776 162.4
[M+Na]+ 296.125718 170.0
[M-H]- 272.129224 167.8
[M+NH4]+ 291.170323 176.4
[M+K]+ 312.099658 166.6
[M+H-H2O]+ 256.133760 154.0
[M+HCOO]- 318.134701 178.5
[M+CH3COO]- 332.150351 173.5
[M+Na-2H]- 294.111166 166.9
[M]+ 273.13595142 161.0
[M]- 273.13704858 161.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.