CID 11228883

2309431-84-1

Structural Information

Molecular Formula

C₅H₈ClNO₂

SMILES

C1[C@@H](CN[C@@H]1C(=O)O)Cl

InChI

InChI=1S/C5H8ClNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4-/m0/s1

InChIKey

UYZNMRJCNSDDFV-IMJSIDKUSA-N

Compound name

(2S,4S)-4-chloropyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 35
Patents: 149.02435 Da
Monoisotopic Mass: -2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	150.03163	127.4
[M+Na]+	172.01357	136.8
[M+NH4]+	167.05817	134.9
[M+K]+	187.98751	134.3
[M-H]-	148.01707	126.2
[M+Na-2H]-	169.99902	130.2
[M]+	149.02380	128.2
[M]-	149.02490	128.2

Literature stripe

literature stripe

Patent stripe

patents stripe