CID 85733

Nickel di-2-ethylhexyldithiocarbamate

Structural Information

Molecular Formula
C17H35NS2
SMILES
CCCCC(CC)CN(CC(CC)CCCC)C(=S)S
InChI
InChI=1S/C17H35NS2/c1-5-9-11-15(7-3)13-18(17(19)20)14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,19,20)
InChIKey
XJCMKFWIBWYYIB-UHFFFAOYSA-N
Compound name
bis(2-ethylhexyl)carbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

631
Patents

317.2211 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.22838 179.9
[M+Na]+ 340.21032 181.0
[M-H]- 316.21382 179.3
[M+NH4]+ 335.25492 195.2
[M+K]+ 356.18426 177.3
[M+H-H2O]+ 300.21836 172.2
[M+HCOO]- 362.21930 186.8
[M+CH3COO]- 376.23495 217.3
[M+Na-2H]- 338.19577 172.5
[M]+ 317.22055 185.6
[M]- 317.22165 185.6
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

patents stripe