CID 22063291

50289-12-8

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

C1COCCC1(C#N)N

InChI

InChI=1S/C6H10N2O/c7-5-6(8)1-3-9-4-2-6/h1-4,8H2

InChIKey

RNLRIDPDRLEOSF-UHFFFAOYSA-N

Compound name

4-aminooxane-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 217
Patents: 126.079315 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]+	127.08659	129.0
[M+Na]+	149.06853	138.6
[M+NH4]+	144.11314	135.4
[M+K]+	165.04247	128.9
[M-H]-	125.07204	124.9
[M+Na-2H]-	147.05398	132.7
[M]+	126.07877	128.3
[M]-	126.07986	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe