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]+ 273.12338 160.9
[M+Na]+ 295.10532 168.5
[M-H]- 271.10882 167.5
[M+NH4]+ 290.14992 176.7
[M+K]+ 311.07926 165.6
[M+H-H2O]+ 255.11336 153.2
[M+HCOO]- 317.11430 180.8
[M+CH3COO]- 331.12995 198.7
[M+Na-2H]- 293.09077 163.7
[M]+ 272.11555 159.9
[M]- 272.11665 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.