CID 28920

18144-58-6

Structural Information

Molecular Formula
C15H16N2O3
SMILES
C1CCN(C1)C(=O)CC2=CC3=C(C=CC(=C3)N)OC2=O
InChI
InChI=1S/C15H16N2O3/c16-12-3-4-13-10(8-12)7-11(15(19)20-13)9-14(18)17-5-1-2-6-17/h3-4,7-8H,1-2,5-6,9,16H2
InChIKey
OFRNKOKLZFJGLM-UHFFFAOYSA-N
Compound name
6-amino-3-(2-oxo-2-pyrrolidin-1-ylethyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1161 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.123376 160.9
[M+Na]+ 295.105318 168.5
[M-H]- 271.108824 167.5
[M+NH4]+ 290.149923 176.7
[M+K]+ 311.079258 165.6
[M+H-H2O]+ 255.113360 153.2
[M+HCOO]- 317.114301 180.8
[M+CH3COO]- 331.129951 198.7
[M+Na-2H]- 293.090766 163.7
[M]+ 272.11555142 159.9
[M]- 272.11664858 159.9
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.