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: 639
Patents: 317.2211 Da
Monoisotopic Mass: 7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	318.228376	179.9
[M+Na]+	340.210318	181.0
[M-H]-	316.213824	179.3
[M+NH4]+	335.254923	195.2
[M+K]+	356.184258	177.3
[M+H-H2O]+	300.218360	172.2
[M+HCOO]-	362.219301	186.8
[M+CH3COO]-	376.234951	217.3
[M+Na-2H]-	338.195766	172.5
[M]+	317.22055142	185.6
[M]-	317.22164858	185.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe