CID 3071831

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

Structural Information

Molecular Formula
C15H18ClNO2
SMILES
C1CCN(CC1)C2CC(OC2=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H18ClNO2/c16-12-6-4-11(5-7-12)14-10-13(15(18)19-14)17-8-2-1-3-9-17/h4-7,13-14H,1-3,8-10H2
InChIKey
VXHHPKRYVFNICQ-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-3-piperidin-1-yloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1026 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10988 165.2
[M+Na]+ 302.09182 171.3
[M-H]- 278.09532 173.1
[M+NH4]+ 297.13642 180.6
[M+K]+ 318.06576 167.2
[M+H-H2O]+ 262.09986 157.2
[M+HCOO]- 324.10080 177.8
[M+CH3COO]- 338.11645 176.1
[M+Na-2H]- 300.07727 165.1
[M]+ 279.10205 162.1
[M]- 279.10315 162.1
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.