CID 8475506

7-hydroxy-4-(pyrrolidin-1-ylmethyl)-2h-chromen-2-one

Structural Information

Molecular Formula
C14H15NO3
SMILES
C1CCN(C1)CC2=CC(=O)OC3=C2C=CC(=C3)O
InChI
InChI=1S/C14H15NO3/c16-11-3-4-12-10(9-15-5-1-2-6-15)7-14(17)18-13(12)8-11/h3-4,7-8,16H,1-2,5-6,9H2
InChIKey
UJVZAUBWPMKTOP-UHFFFAOYSA-N
Compound name
7-hydroxy-4-(pyrrolidin-1-ylmethyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1052 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11248 153.4
[M+Na]+ 268.09442 166.9
[M+NH4]+ 263.13902 161.7
[M+K]+ 284.06836 162.3
[M-H]- 244.09792 157.8
[M+Na-2H]- 266.07987 159.2
[M]+ 245.10465 156.5
[M]- 245.10575 156.5
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.