CID 217882

39832-63-8

Structural Information

Molecular Formula
C15H16ClNO3
SMILES
C1CCN(C1)C(=O)C2(CCC(=O)O2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H16ClNO3/c16-12-5-3-11(4-6-12)15(8-7-13(18)20-15)14(19)17-9-1-2-10-17/h3-6H,1-2,7-10H2
InChIKey
PTGZYUFZMYDNTB-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.08188 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.089156 167.0
[M+Na]+ 316.071098 174.0
[M-H]- 292.074604 175.8
[M+NH4]+ 311.115703 185.5
[M+K]+ 332.045038 170.7
[M+H-H2O]+ 276.079140 160.5
[M+HCOO]- 338.080081 181.4
[M+CH3COO]- 352.095731 178.6
[M+Na-2H]- 314.056546 166.3
[M]+ 293.08133142 166.2
[M]- 293.08242858 166.2
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.