CID 42025

56879-65-3

Structural Information

Molecular Formula
C13H12N2O4
SMILES
C1CCN(C1)C2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]
InChI
InChI=1S/C13H12N2O4/c16-13-12(15(17)18)11(14-7-3-4-8-14)9-5-1-2-6-10(9)19-13/h1-2,5-6H,3-4,7-8H2
InChIKey
ADBXTULQWMWTBQ-UHFFFAOYSA-N
Compound name
3-nitro-4-pyrrolidin-1-ylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

260.0797 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08698 153.4
[M+Na]+ 283.06892 167.3
[M+NH4]+ 278.11352 161.4
[M+K]+ 299.04286 165.8
[M-H]- 259.07242 159.2
[M+Na-2H]- 281.05437 159.2
[M]+ 260.07915 156.8
[M]- 260.08025 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.