CID 9964156

367906-51-2

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

COC(=O)[C@@H]1CCCN1C#N

InChI

InChI=1S/C7H10N2O2/c1-11-7(10)6-3-2-4-9(6)5-8/h6H,2-4H2,1H3/t6-/m0/s1

InChIKey

HAUJCOYPXFAWIL-LURJTMIESA-N

Compound name

methyl (2S)-1-cyanopyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 154.07423 Da
Monoisotopic Mass: 1.0
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]+	155.08151	133.2
[M+Na]+	177.06345	142.2
[M+NH4]+	172.10805	137.1
[M+K]+	193.03739	136.3
[M-H]-	153.06695	125.7
[M+Na-2H]-	175.04890	134.3
[M]+	154.07368	131.2
[M]-	154.07478	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe