CID 104035

Einecs 257-566-9

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
2
Annotation Hits

0
References

2
Patents

300.1694 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17668 169.4
[M+Na]+ 323.15862 168.3
[M-H]- 299.16212 175.1
[M+NH4]+ 318.20322 184.8
[M+K]+ 339.13256 165.8
[M+H-H2O]+ 283.16666 161.2
[M+HCOO]- 345.16760 175.8
[M+CH3COO]- 359.18325 210.5
[M+Na-2H]- 321.14407 165.7
[M]+ 300.16885 163.3
[M]- 300.16995 163.3
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