CID 3071829

Dihydro-5-(4-chlorophenyl)-3-(1-pyrrolidinyl)-2(3h)-furanone hydrochloride

Structural Information

Molecular Formula
C14H16ClNO2
SMILES
C1CCN(C1)C2CC(OC2=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H16ClNO2/c15-11-5-3-10(4-6-11)13-9-12(14(17)18-13)16-7-1-2-8-16/h3-6,12-13H,1-2,7-9H2
InChIKey
MJCIHKBAAUJYNL-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-3-pyrrolidin-1-yloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.08694 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.09422 161.6
[M+Na]+ 288.07616 168.9
[M-H]- 264.07966 170.2
[M+NH4]+ 283.12076 179.5
[M+K]+ 304.05010 165.2
[M+H-H2O]+ 248.08420 154.7
[M+HCOO]- 310.08514 176.7
[M+CH3COO]- 324.10079 173.6
[M+Na-2H]- 286.06161 160.4
[M]+ 265.08639 160.3
[M]- 265.08749 160.3
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.