CID 33155

3-(dibutylamino)propanenitrile

Structural Information

Molecular Formula

C₁₁H₂₂N₂

SMILES

CCCCN(CCCC)CCC#N

InChI

InChI=1S/C11H22N2/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-7,9-11H2,1-2H3

InChIKey

XNHGXTPCDNEDCH-UHFFFAOYSA-N

Compound name

3-(dibutylamino)propanenitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 56
Patents: 182.1783 Da
Monoisotopic Mass: 2.5
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]+	183.185576	142.0
[M+Na]+	205.167518	148.5
[M-H]-	181.171024	143.3
[M+NH4]+	200.212123	160.5
[M+K]+	221.141458	148.1
[M+H-H2O]+	165.175560	129.7
[M+HCOO]-	227.176501	162.3
[M+CH3COO]-	241.192151	203.2
[M+Na-2H]-	203.152966	146.2
[M]+	182.17775142	140.5
[M]-	182.17884858	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe