CID 43608580

3-[(oxan-4-yl)amino]propanenitrile

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

C1COCCC1NCCC#N

InChI

InChI=1S/C8H14N2O/c9-4-1-5-10-8-2-6-11-7-3-8/h8,10H,1-3,5-7H2

InChIKey

MUIFDVRFDYOKCS-UHFFFAOYSA-N

Compound name

3-(oxan-4-ylamino)propanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 154.11061 Da
Monoisotopic Mass: 0.4
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]+	155.11789	130.6
[M+Na]+	177.09983	137.1
[M-H]-	153.10333	133.5
[M+NH4]+	172.14443	147.8
[M+K]+	193.07377	136.1
[M+H-H2O]+	137.10787	118.1
[M+HCOO]-	199.10881	148.3
[M+CH3COO]-	213.12446	190.1
[M+Na-2H]-	175.08528	137.6
[M]+	154.11006	122.6
[M]-	154.11116	122.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe