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
2
Annotation Hits

0
References

556
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 180.4
[M+Na]+ 340.21032 186.0
[M+NH4]+ 335.25492 187.4
[M+K]+ 356.18426 176.4
[M-H]- 316.21382 180.5
[M+Na-2H]- 338.19577 180.0
[M]+ 317.22055 181.9
[M]- 317.22165 181.9
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