CID 3079184

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

Structural Information

Molecular Formula
C15H18ClNO2
SMILES
C1CCN(C1)CC2CC(OC2=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H18ClNO2/c16-13-5-3-11(4-6-13)14-9-12(15(18)19-14)10-17-7-1-2-8-17/h3-6,12,14H,1-2,7-10H2
InChIKey
DQJFFQSIJWFREV-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-3-(pyrrolidin-1-ylmethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1026 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10988 166.2
[M+Na]+ 302.09182 173.1
[M-H]- 278.09532 174.7
[M+NH4]+ 297.13642 183.6
[M+K]+ 318.06576 169.1
[M+H-H2O]+ 262.09986 159.1
[M+HCOO]- 324.10080 181.0
[M+CH3COO]- 338.11645 177.8
[M+Na-2H]- 300.07727 164.4
[M]+ 279.10205 165.3
[M]- 279.10315 165.3
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.