CID 28938

18186-67-9

Structural Information

Molecular Formula
C15H15NO3
SMILES
C1CCN(C1)C(=O)CC2=CC3=CC=CC=C3OC2=O
InChI
InChI=1S/C15H15NO3/c17-14(16-7-3-4-8-16)10-12-9-11-5-1-2-6-13(11)19-15(12)18/h1-2,5-6,9H,3-4,7-8,10H2
InChIKey
ATMOOXXFMHQVMN-UHFFFAOYSA-N
Compound name
3-(2-oxo-2-pyrrolidin-1-ylethyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1052 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11248 156.3
[M+Na]+ 280.09442 163.9
[M-H]- 256.09792 163.1
[M+NH4]+ 275.13902 173.1
[M+K]+ 296.06836 161.4
[M+H-H2O]+ 240.10246 148.8
[M+HCOO]- 302.10340 175.9
[M+CH3COO]- 316.11905 168.6
[M+Na-2H]- 278.07987 160.3
[M]+ 257.10465 156.5
[M]- 257.10575 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.