CID 2063331

6788-68-7

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

C1=COC(=C1)CNCCC#N

InChI

InChI=1S/C8H10N2O/c9-4-2-5-10-7-8-3-1-6-11-8/h1,3,6,10H,2,5,7H2

InChIKey

HGGLROFYOVWSRZ-UHFFFAOYSA-N

Compound name

3-(furan-2-ylmethylamino)propanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 27
Patents: 150.07932 Da
Monoisotopic Mass: 0.1
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]+	151.08660	134.7
[M+Na]+	173.06854	144.8
[M+NH4]+	168.11314	139.6
[M+K]+	189.04248	137.4
[M-H]-	149.07204	130.3
[M+Na-2H]-	171.05399	137.7
[M]+	150.07877	133.9
[M]-	150.07987	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe