CID 113307

2-cyanoethyl dibutyldithiocarbamate

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 151.2
[M+Na]+ 281.11166 158.4
[M+NH4]+ 276.15626 155.7
[M+K]+ 297.08560 146.7
[M-H]- 257.11516 145.0
[M+Na-2H]- 279.09711 151.1
[M]+ 258.12189 150.3
[M]- 258.12299 150.3
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.