CID 3079186

Dihydro-5-(4-chlorophenyl)-3-(1-piperidinylmethyl)-2(3h)-furanone (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C16H20ClNO2
SMILES
C1CCN(CC1)CC2CC(OC2=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H20ClNO2/c17-14-6-4-12(5-7-14)15-10-13(16(19)20-15)11-18-8-2-1-3-9-18/h4-7,13,15H,1-3,8-11H2
InChIKey
KYVIRMJUPKYVNI-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-3-(piperidin-1-ylmethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.11826 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12554 169.8
[M+Na]+ 316.10748 175.4
[M-H]- 292.11098 177.5
[M+NH4]+ 311.15208 184.6
[M+K]+ 332.08142 171.1
[M+H-H2O]+ 276.11552 161.6
[M+HCOO]- 338.11646 182.0
[M+CH3COO]- 352.13211 180.2
[M+Na-2H]- 314.09293 169.1
[M]+ 293.11771 167.0
[M]- 293.11881 167.0
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.