CID 16795727

2-amino-2-(oxolan-3-yl)acetonitrile

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

C1COCC1C(C#N)N

InChI

InChI=1S/C6H10N2O/c7-3-6(8)5-1-2-9-4-5/h5-6H,1-2,4,8H2

InChIKey

QMPXLKUDDODKEW-UHFFFAOYSA-N

Compound name

2-amino-2-(oxolan-3-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	130.0
[M+Na]+	149.06853	138.3
[M+NH4]+	144.11314	134.8
[M+K]+	165.04247	132.5
[M-H]-	125.07204	125.1
[M+Na-2H]-	147.05398	131.1
[M]+	126.07877	128.6
[M]-	126.07986	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.