CID 4122939

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

Structural Information

Molecular Formula
C11H10ClNO3
SMILES
C1CN(C(=O)C1C(=O)O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C11H10ClNO3/c12-7-2-1-3-8(6-7)13-5-4-9(10(13)14)11(15)16/h1-3,6,9H,4-5H2,(H,15,16)
InChIKey
KDULWPXRFVQNQN-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

239.03493 Da
Monoisotopic Mass

2.3
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

No literature data available for this compound.

Patent stripe

patents stripe