CID 79377

5395-98-2

Structural Information

Molecular Formula

C₁₅H₃₂N₂S

SMILES

CCCCCCCCCCCCSC(=NC)NC

InChI

InChI=1S/C15H32N2S/c1-4-5-6-7-8-9-10-11-12-13-14-18-15(16-2)17-3/h4-14H2,1-3H3,(H,16,17)

InChIKey

ARIJQPZSNXUOMI-UHFFFAOYSA-N

Compound name

dodecyl N,N'-dimethylcarbamimidothioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 272.2286 Da
Monoisotopic Mass: 6.2
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]+	273.23588	171.3
[M+Na]+	295.21782	173.7
[M-H]-	271.22132	171.4
[M+NH4]+	290.26242	188.5
[M+K]+	311.19176	170.6
[M+H-H2O]+	255.22586	163.7
[M+HCOO]-	317.22680	189.2
[M+CH3COO]-	331.24245	208.4
[M+Na-2H]-	293.20327	170.2
[M]+	272.22805	176.6
[M]-	272.22915	176.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.