CID 113307

S-2-cyanoethyl n,n-di-n-butyldithiocarbamate

Structural Information

Molecular Formula
C12H22N2S2
SMILES
CCCCN(CCCC)C(=S)SCCC#N
InChI
InChI=1S/C12H22N2S2/c1-3-5-9-14(10-6-4-2)12(15)16-11-7-8-13/h3-7,9-11H2,1-2H3
InChIKey
POKOHLZMQPCOHD-UHFFFAOYSA-N
Compound name
2-cyanoethyl N,N-dibutylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.12244 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.12972 162.3
[M+Na]+ 281.11166 168.6
[M-H]- 257.11516 164.3
[M+NH4]+ 276.15626 178.9
[M+K]+ 297.08560 166.5
[M+H-H2O]+ 241.11970 149.5
[M+HCOO]- 303.12064 170.6
[M+CH3COO]- 317.13629 211.7
[M+Na-2H]- 279.09711 160.0
[M]+ 258.12189 162.3
[M]- 258.12299 162.3
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.