CID 2804434

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

47
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 149.1
[M+Na]+ 262.02415 158.1
[M-H]- 238.02765 153.5
[M+NH4]+ 257.06875 167.4
[M+K]+ 277.99809 153.6
[M+H-H2O]+ 222.03219 143.2
[M+HCOO]- 284.03313 165.0
[M+CH3COO]- 298.04878 186.2
[M+Na-2H]- 260.00960 150.1
[M]+ 239.03438 149.1
[M]- 239.03548 149.1
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