CID 14335

37620-20-5

Structural Information

Molecular Formula

C₁₀H₁₃N₃O

SMILES

C1CCN(C(C1)C2=CN=CC=C2)N=O

InChI

InChI=1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2

InChIKey

BXYPVKMROLGXJI-UHFFFAOYSA-N

Compound name

3-(1-nitrosopiperidin-2-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 21
References: 1186
Patents: 191.10587 Da
Monoisotopic Mass: 1.5
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]+	192.113146	140.7
[M+Na]+	214.095088	146.7
[M-H]-	190.098594	145.3
[M+NH4]+	209.139693	157.4
[M+K]+	230.069028	144.8
[M+H-H2O]+	174.103130	131.5
[M+HCOO]-	236.104071	162.4
[M+CH3COO]-	250.119721	186.1
[M+Na-2H]-	212.080536	148.2
[M]+	191.10532142	137.3
[M]-	191.10641858	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe