CID 9588203

Brn 1449258

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

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

InChI

InChI=1S/C8H8N2O2/c1-7(11)12-10-6-8-3-2-4-9-5-8/h2-6H,1H3/b10-6+

InChIKey

AXFIWMQXUWEQNR-UXBLZVDNSA-N

Compound name

[(E)-pyridin-3-ylmethylideneamino] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 164.05858 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]+	165.06586	133.0
[M+Na]+	187.04780	145.1
[M+NH4]+	182.09240	140.6
[M+K]+	203.02174	139.2
[M-H]-	163.05130	134.7
[M+Na-2H]-	185.03325	140.4
[M]+	164.05803	135.0
[M]-	164.05913	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.