CID 557761

3-(hexylamino)propionitrile

Structural Information

Molecular Formula

C₉H₁₈N₂

SMILES

CCCCCCNCCC#N

InChI

InChI=1S/C9H18N2/c1-2-3-4-5-8-11-9-6-7-10/h11H,2-6,8-9H2,1H3

InChIKey

IBFRLHYBIOCBTE-UHFFFAOYSA-N

Compound name

3-(hexylamino)propanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 154.147 Da
Monoisotopic Mass: 1.8
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]+	155.15428	137.7
[M+Na]+	177.13622	146.8
[M+NH4]+	172.18082	142.2
[M+K]+	193.11016	137.1
[M-H]-	153.13972	131.1
[M+Na-2H]-	175.12167	139.3
[M]+	154.14645	136.1
[M]-	154.14755	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe