CID 104035

51976-94-4

Structural Information

Molecular Formula

C₁₅H₂₈N₂S₂

SMILES

CN(C)C(=S)SN(C1CCCCC1)C2CCCCC2

InChI

InChI=1S/C15H28N2S2/c1-16(2)15(18)19-17(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3

InChIKey

NOMIJAKZQLPTDV-UHFFFAOYSA-N

Compound name

(dicyclohexylamino) N,N-dimethylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 300.1694 Da
Monoisotopic Mass: 4.7
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]+	301.17668	165.4
[M+Na]+	323.15862	171.6
[M+NH4]+	318.20322	175.0
[M+K]+	339.13256	162.3
[M-H]-	299.16212	170.9
[M+Na-2H]-	321.14407	170.2
[M]+	300.16885	168.5
[M]-	300.16995	168.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe