CID 12213991

37832-20-5

Structural Information

Molecular Formula

SMILES

C1=CC(=CN=C1)CON

InChI

InChI=1S/C6H8N2O/c7-9-5-6-2-1-3-8-4-6/h1-4H,5,7H2

InChIKey

TVPSRTVMZGECAT-UHFFFAOYSA-N

Compound name

O-(pyridin-3-ylmethyl)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
Patents: 124.06366 Da
Monoisotopic Mass: -0.2
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]+	125.07094	121.9
[M+Na]+	147.05288	129.8
[M-H]-	123.05638	123.9
[M+NH4]+	142.09748	142.3
[M+K]+	163.02682	128.6
[M+H-H2O]+	107.06092	115.5
[M+HCOO]-	169.06186	146.9
[M+CH3COO]-	183.07751	171.0
[M+Na-2H]-	145.03833	131.2
[M]+	124.06311	121.0
[M]-	124.06421	121.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe