CID 79269

Nsc 3517

Structural Information

Molecular Formula
C15H32N2S
SMILES
CCCCCCCCCCSC(=NCC)NCC
InChI
InChI=1S/C15H32N2S/c1-4-7-8-9-10-11-12-13-14-18-15(16-5-2)17-6-3/h4-14H2,1-3H3,(H,16,17)
InChIKey
GXNMMNPUJNREFY-UHFFFAOYSA-N
Compound name
decyl N,N'-diethylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.2286 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.235876 171.3
[M+Na]+ 295.217818 173.7
[M-H]- 271.221324 171.4
[M+NH4]+ 290.262423 188.5
[M+K]+ 311.191758 170.6
[M+H-H2O]+ 255.225860 163.7
[M+HCOO]- 317.226801 189.2
[M+CH3COO]- 331.242451 208.4
[M+Na-2H]- 293.203266 170.2
[M]+ 272.22805142 176.6
[M]- 272.22914858 176.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.