CID 2802204

Ns00017192

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

C1=COC(=C1)C=NOCCC#N

InChI

InChI=1S/C8H8N2O2/c9-4-2-6-12-10-7-8-3-1-5-11-8/h1,3,5,7H,2,6H2

InChIKey

OSUKIFNOPAZHCB-UHFFFAOYSA-N

Compound name

3-(furan-2-ylmethylideneamino)oxypropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 164.05858 Da
Monoisotopic Mass: 1.1
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]+	165.065856	131.5
[M+Na]+	187.047798	141.2
[M-H]-	163.051304	136.1
[M+NH4]+	182.092403	150.6
[M+K]+	203.021738	140.5
[M+H-H2O]+	147.055840	118.4
[M+HCOO]-	209.056781	155.2
[M+CH3COO]-	223.072431	192.0
[M+Na-2H]-	185.033246	139.2
[M]+	164.05803142	130.0
[M]-	164.05912858	130.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.