CID 51291

71267-22-6

Structural Information

Molecular Formula

C₁₀H₁₁N₃O

SMILES

C1C=CCN([C@@H]1C2=CN=CC=C2)N=O

InChI

InChI=1S/C10H11N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h1-4,6,8,10H,5,7H2/t10-/m0/s1

InChIKey

ZJOFAFWTOKDIFH-JTQLQIEISA-N

Compound name

3-[(2S)-1-nitroso-3,6-dihydro-2H-pyridin-2-yl]pyridine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 26
References: 1368
Patents: 189.09021 Da
Monoisotopic Mass: 1.3
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]+	190.09749	139.1
[M+Na]+	212.07943	146.2
[M-H]-	188.08293	144.1
[M+NH4]+	207.12403	156.0
[M+K]+	228.05337	144.0
[M+H-H2O]+	172.08747	129.9
[M+HCOO]-	234.08841	162.3
[M+CH3COO]-	248.10406	185.8
[M+Na-2H]-	210.06488	147.6
[M]+	189.08966	137.2
[M]-	189.09076	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe