CID 11073883

207557-35-5

Structural Information

Molecular Formula

C₇H₉ClN₂O

SMILES

C1C[C@H](N(C1)C(=O)CCl)C#N

InChI

InChI=1S/C7H9ClN2O/c8-4-7(11)10-3-1-2-6(10)5-9/h6H,1-4H2/t6-/m0/s1

InChIKey

YCWRPKBYQZOLCD-LURJTMIESA-N

Compound name

(2S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 231
Patents: 172.04034 Da
Monoisotopic Mass: 0.7
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]+	173.04762	133.6
[M+Na]+	195.02956	143.7
[M+NH4]+	190.07416	138.3
[M+K]+	211.00350	136.7
[M-H]-	171.03306	126.6
[M+Na-2H]-	193.01501	135.3
[M]+	172.03979	132.2
[M]-	172.04089	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe