CID 69809

N,n'-dibutylsulphamide

Structural Information

Molecular Formula

C₈H₂₀N₂O₂S

SMILES

CCCCNS(=O)(=O)NCCCC

InChI

InChI=1S/C8H20N2O2S/c1-3-5-7-9-13(11,12)10-8-6-4-2/h9-10H,3-8H2,1-2H3

InChIKey

FLJVRWOWKXUFRB-UHFFFAOYSA-N

Compound name

N-(butylsulfamoyl)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 43
Patents: 208.12454 Da
Monoisotopic Mass: 1.6
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]+	209.131816	146.7
[M+Na]+	231.113758	151.9
[M-H]-	207.117264	146.5
[M+NH4]+	226.158363	165.4
[M+K]+	247.087698	149.7
[M+H-H2O]+	191.121800	140.6
[M+HCOO]-	253.122741	165.4
[M+CH3COO]-	267.138391	189.4
[M+Na-2H]-	229.099206	150.5
[M]+	208.12399142	149.9
[M]-	208.12508858	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe