CID 74906

Dibutylcyanamide

Structural Information

Molecular Formula

C₉H₁₈N₂

SMILES

CCCCN(CCCC)C#N

InChI

InChI=1S/C9H18N2/c1-3-5-7-11(9-10)8-6-4-2/h3-8H2,1-2H3

InChIKey

SOGFATPCYLMCMQ-UHFFFAOYSA-N

Compound name

dibutylcyanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 154.147 Da
Monoisotopic Mass: 3.0
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	134.1
[M+Na]+	177.13622	141.3
[M-H]-	153.13972	135.7
[M+NH4]+	172.18082	153.6
[M+K]+	193.11016	141.4
[M+H-H2O]+	137.14426	122.1
[M+HCOO]-	199.14520	154.9
[M+CH3COO]-	213.16085	197.8
[M+Na-2H]-	175.12167	139.2
[M]+	154.14645	131.8
[M]-	154.14755	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe