CID 2889673

1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H10ClNO3
SMILES
C1C(CN(C1=O)C2=CC=CC=C2Cl)C(=O)O
InChI
InChI=1S/C11H10ClNO3/c12-8-3-1-2-4-9(8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)
InChIKey
ACCRKQWGKXZJPM-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

239.03493 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.04221 149.0
[M+Na]+ 262.02415 161.1
[M+NH4]+ 257.06875 156.4
[M+K]+ 277.99809 157.4
[M-H]- 238.02765 150.5
[M+Na-2H]- 260.00960 154.2
[M]+ 239.03438 151.1
[M]- 239.03548 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe