CID 3071816

139084-68-7

Structural Information

Molecular Formula
C14H16ClNO3
SMILES
C1CCN(C1)C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C14H16ClNO3/c15-11-5-3-10(4-6-11)13(17)9-12(14(18)19)16-7-1-2-8-16/h3-6,12H,1-2,7-9H2,(H,18,19)
InChIKey
NJXSBMPAHIMXIA-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-4-oxo-2-pyrrolidin-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.08188 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08916 162.3
[M+Na]+ 304.07110 172.4
[M+NH4]+ 299.11570 169.0
[M+K]+ 320.04504 169.2
[M-H]- 280.07460 163.1
[M+Na-2H]- 302.05655 166.6
[M]+ 281.08133 163.9
[M]- 281.08243 163.9
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.