CID 5362223

6,7-dihydroxy-8-(piperidinomethyl)coumarin hydrochloride

Structural Information

Molecular Formula
C15H17NO4
SMILES
C1CCN(CC1)CC2=C3C(=CC(=C2O)O)C=CC(=O)O3
InChI
InChI=1S/C15H17NO4/c17-12-8-10-4-5-13(18)20-15(10)11(14(12)19)9-16-6-2-1-3-7-16/h4-5,8,17,19H,1-3,6-7,9H2
InChIKey
SYOLBRMYAJMSMZ-UHFFFAOYSA-N
Compound name
6,7-dihydroxy-8-(piperidin-1-ylmethyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.11575 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12303 161.0
[M+Na]+ 298.10497 168.4
[M-H]- 274.10847 165.2
[M+NH4]+ 293.14957 174.2
[M+K]+ 314.07891 165.1
[M+H-H2O]+ 258.11301 152.9
[M+HCOO]- 320.11395 176.1
[M+CH3COO]- 334.12960 194.2
[M+Na-2H]- 296.09042 165.7
[M]+ 275.11520 159.0
[M]- 275.11630 159.0
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.