CID 188075

68743-67-9

Structural Information

Molecular Formula

C₉H₁₁N₃O₂

SMILES

C1CC(N(C1C2=CN=CC=C2)N=O)O

InChI

InChI=1S/C9H11N3O2/c13-9-4-3-8(12(9)11-14)7-2-1-5-10-6-7/h1-2,5-6,8-9,13H,3-4H2

InChIKey

OPIMKKJZZFWGRJ-UHFFFAOYSA-N

Compound name

1-nitroso-5-pyridin-3-ylpyrrolidin-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.08513 Da
Monoisotopic Mass: 1.2
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]+	194.09241	140.9
[M+Na]+	216.07435	152.0
[M+NH4]+	211.11895	148.3
[M+K]+	232.04829	148.5
[M-H]-	192.07785	143.1
[M+Na-2H]-	214.05980	147.4
[M]+	193.08458	142.8
[M]-	193.08568	142.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.