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 152.5
[M+Na]+ 268.09442 161.0
[M-H]- 244.09792 158.4
[M+NH4]+ 263.13902 169.5
[M+K]+ 284.06836 157.9
[M+H-H2O]+ 228.10246 145.5
[M+HCOO]- 290.10340 171.7
[M+CH3COO]- 304.11905 165.0
[M+Na-2H]- 266.07987 157.1
[M]+ 245.10465 152.4
[M]- 245.10575 152.4
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.