CID 45115944

2305184-94-3

Structural Information

Molecular Formula

C₆H₁₀ClNO₂

SMILES

COC(=O)[C@@H]1C[C@@H](CN1)Cl

InChI

InChI=1S/C6H10ClNO2/c1-10-6(9)5-2-4(7)3-8-5/h4-5,8H,2-3H2,1H3/t4-,5-/m0/s1

InChIKey

KIHQEVXNQJYINH-WHFBIAKZSA-N

Compound name

methyl (2S,4S)-4-chloropyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 163.04001 Da
Monoisotopic Mass: 0.5
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]+	164.04729	133.0
[M+Na]+	186.02923	140.8
[M-H]-	162.03273	133.6
[M+NH4]+	181.07383	154.3
[M+K]+	202.00317	138.2
[M+H-H2O]+	146.03727	128.2
[M+HCOO]-	208.03821	148.5
[M+CH3COO]-	222.05386	171.4
[M+Na-2H]-	184.01468	135.5
[M]+	163.03946	131.8
[M]-	163.04056	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe