CID 80596

Nsc 31045

Structural Information

Molecular Formula

C₁₃H₂₈N₂S

SMILES

CCCCCCCCCCSC(=NC)NC

InChI

InChI=1S/C13H28N2S/c1-4-5-6-7-8-9-10-11-12-16-13(14-2)15-3/h4-12H2,1-3H3,(H,14,15)

InChIKey

SVUFYZWPSRJMSW-UHFFFAOYSA-N

Compound name

decyl N,N'-dimethylcarbamimidothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 244.19733 Da
Monoisotopic Mass: 5.2
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]+	245.20461	162.7
[M+Na]+	267.18655	165.9
[M-H]-	243.19005	163.2
[M+NH4]+	262.23115	181.0
[M+K]+	283.16049	163.3
[M+H-H2O]+	227.19459	155.5
[M+HCOO]-	289.19553	181.2
[M+CH3COO]-	303.21118	202.4
[M+Na-2H]-	265.17200	162.5
[M]+	244.19678	167.3
[M]-	244.19788	167.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.