CID 12778

Dtxsid60990175

Structural Information

Molecular Formula

C₆H₆N₂O₂

SMILES

C1=CN(C=CC1=CN=O)O

InChI

InChI=1S/C6H6N2O2/c9-7-5-6-1-3-8(10)4-2-6/h1-5,10H

InChIKey

XOTXPRUFDURHKP-UHFFFAOYSA-N

Compound name

1-hydroxy-4-(nitrosomethylidene)pyridine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 138.04292 Da
Monoisotopic Mass: 0.0
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]+	139.05020	123.9
[M+Na]+	161.03214	132.2
[M-H]-	137.03564	126.5
[M+NH4]+	156.07674	144.0
[M+K]+	177.00608	131.0
[M+H-H2O]+	121.04018	117.6
[M+HCOO]-	183.04112	148.6
[M+CH3COO]-	197.05677	172.7
[M+Na-2H]-	159.01759	132.4
[M]+	138.04237	122.8
[M]-	138.04347	122.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe