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 163.2
[M+Na]+ 304.07110 168.5
[M-H]- 280.07460 166.6
[M+NH4]+ 299.11570 179.0
[M+K]+ 320.04504 164.3
[M+H-H2O]+ 264.07914 156.5
[M+HCOO]- 326.08008 176.2
[M+CH3COO]- 340.09573 194.6
[M+Na-2H]- 302.05655 161.7
[M]+ 281.08133 162.4
[M]- 281.08243 162.4
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.