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]+ 294.08916 167.0
[M+Na]+ 316.07110 174.0
[M-H]- 292.07460 175.8
[M+NH4]+ 311.11570 185.5
[M+K]+ 332.04504 170.7
[M+H-H2O]+ 276.07914 160.5
[M+HCOO]- 338.08008 181.4
[M+CH3COO]- 352.09573 178.6
[M+Na-2H]- 314.05655 166.3
[M]+ 293.08133 166.2
[M]- 293.08243 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.