CID 105067

59578-66-4

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₂

SMILES

CN(C(CCCO)C1=CN=CC=C1)N=O

InChI

InChI=1S/C10H15N3O2/c1-13(12-15)10(5-3-7-14)9-4-2-6-11-8-9/h2,4,6,8,10,14H,3,5,7H2,1H3

InChIKey

IIDMFFRDEFHWCJ-UHFFFAOYSA-N

Compound name

N-(4-hydroxy-1-pyridin-3-ylbutyl)-N-methylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 37
References: 245
Patents: 209.11642 Da
Monoisotopic Mass: 0.7
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]+	210.12370	146.4
[M+Na]+	232.10564	156.3
[M+NH4]+	227.15024	153.3
[M+K]+	248.07958	151.3
[M-H]-	208.10914	148.2
[M+Na-2H]-	230.09109	152.7
[M]+	209.11587	148.0
[M]-	209.11697	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe