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]+ 258.112476 156.3
[M+Na]+ 280.094418 163.9
[M-H]- 256.097924 163.1
[M+NH4]+ 275.139023 173.1
[M+K]+ 296.068358 161.4
[M+H-H2O]+ 240.102460 148.8
[M+HCOO]- 302.103401 175.9
[M+CH3COO]- 316.119051 168.6
[M+Na-2H]- 278.079866 160.3
[M]+ 257.10465142 156.5
[M]- 257.10574858 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.