CID 3084648

Dipentylcyanamide

Structural Information

Molecular Formula

C₁₁H₂₂N₂

SMILES

CCCCCN(CCCCC)C#N

InChI

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

InChIKey

OFRCZCKKTQOAIL-UHFFFAOYSA-N

Compound name

dipentylcyanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 182.1783 Da
Monoisotopic Mass: 4.1
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]+	183.18558	145.4
[M+Na]+	205.16752	154.4
[M+NH4]+	200.21212	149.9
[M+K]+	221.14146	144.7
[M-H]-	181.17102	139.1
[M+Na-2H]-	203.15297	146.8
[M]+	182.17775	143.9
[M]-	182.17885	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe