CID 3048849

Ammonium, mercuribis(diethyl(2,2-dimethyl-4-dithiocarboxyamino)butyl-, dichloride

Structural Information

Molecular Formula
C11H24N2S2
SMILES
CCN(CC)CC(C)(C)CCNC(=S)S
InChI
InChI=1S/C11H24N2S2/c1-5-13(6-2)9-11(3,4)7-8-12-10(14)15/h5-9H2,1-4H3,(H2,12,14,15)
InChIKey
SJYIDMPOCHLRGM-UHFFFAOYSA-N
Compound name
[4-(diethylamino)-3,3-dimethylbutyl]carbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.13809 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14537 158.8
[M+Na]+ 271.12731 162.4
[M-H]- 247.13081 159.2
[M+NH4]+ 266.17191 176.6
[M+K]+ 287.10125 159.3
[M+H-H2O]+ 231.13535 151.9
[M+HCOO]- 293.13629 169.1
[M+CH3COO]- 307.15194 203.2
[M+Na-2H]- 269.11276 157.3
[M]+ 248.13754 162.1
[M]- 248.13864 162.1
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.