CID 56844114

Zinc, bis[bis(3,5,5-trimethylhexyl)carbamodithioato-.kappa.s,.kappa.s']-, (t-4)-

Structural Information

Molecular Formula
C19H39NS2
SMILES
CC(CCN(CCC(C)CC(C)(C)C)C(=S)S)CC(C)(C)C
InChI
InChI=1S/C19H39NS2/c1-15(13-18(3,4)5)9-11-20(17(21)22)12-10-16(2)14-19(6,7)8/h15-16H,9-14H2,1-8H3,(H,21,22)
InChIKey
AHEIXKCPMRMLRH-UHFFFAOYSA-N
Compound name
bis(3,5,5-trimethylhexyl)carbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

345.25238 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.25966 186.4
[M+Na]+ 368.24160 187.5
[M-H]- 344.24510 186.0
[M+NH4]+ 363.28620 201.0
[M+K]+ 384.21554 184.4
[M+H-H2O]+ 328.24964 179.6
[M+HCOO]- 390.25058 190.1
[M+CH3COO]- 404.26623 222.5
[M+Na-2H]- 366.22705 180.4
[M]+ 345.25183 191.8
[M]- 345.25293 191.8
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.