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]+ 273.23588 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
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.