CID 12613538

16543-55-8

Structural Information

Molecular Formula

C₉H₁₁N₃O

SMILES

C1C[C@H](N(C1)N=O)C2=CN=CC=C2

InChI

InChI=1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2/t9-/m0/s1

InChIKey

XKABJYQDMJTNGQ-VIFPVBQESA-N

Compound name

3-[(2S)-1-nitrosopyrrolidin-2-yl]pyridine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 312
References: 2124
Patents: 177.09021 Da
Monoisotopic Mass: 1.1
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]+	178.09749	137.6
[M+Na]+	200.07943	149.4
[M+NH4]+	195.12403	145.9
[M+K]+	216.05337	144.8
[M-H]-	176.08293	140.8
[M+Na-2H]-	198.06488	145.5
[M]+	177.08966	139.9
[M]-	177.09076	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe