CID 87443

(dibutylamino)acetonitrile

Structural Information

Molecular Formula

C₁₀H₂₀N₂

SMILES

CCCCN(CCCC)CC#N

InChI

InChI=1S/C10H20N2/c1-3-5-8-12(10-7-11)9-6-4-2/h3-6,8-10H2,1-2H3

InChIKey

ZPVXOYNIUUYGQD-UHFFFAOYSA-N

Compound name

2-(dibutylamino)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 168.16264 Da
Monoisotopic Mass: 2.6
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]+	169.16992	138.1
[M+Na]+	191.15186	144.9
[M-H]-	167.15536	139.5
[M+NH4]+	186.19646	157.1
[M+K]+	207.12580	144.7
[M+H-H2O]+	151.15990	125.9
[M+HCOO]-	213.16084	158.6
[M+CH3COO]-	227.17649	200.5
[M+Na-2H]-	189.13731	142.7
[M]+	168.16209	136.2
[M]-	168.16319	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe