CID 9588198

Brn 1448895

Structural Information

Molecular Formula

C₇H₆N₂O₂

SMILES

C1=CC=NC(=C1)/C=N/OC=O

InChI

InChI=1S/C7H6N2O2/c10-6-11-9-5-7-3-1-2-4-8-7/h1-6H/b9-5+

InChIKey

WXEYAVXGBOAYCA-WEVVVXLNSA-N

Compound name

[(E)-pyridin-2-ylmethylideneamino] formate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 150.04292 Da
Monoisotopic Mass: 1.0
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]+	151.05020	128.4
[M+Na]+	173.03214	140.9
[M+NH4]+	168.07674	136.2
[M+K]+	189.00608	134.5
[M-H]-	149.03564	130.2
[M+Na-2H]-	171.01759	136.4
[M]+	150.04237	130.4
[M]-	150.04347	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.