CID 3032695

18997-74-5

Structural Information

Molecular Formula
C8H18N2S2
SMILES
CCCCNCCCNC(=S)S
InChI
InChI=1S/C8H18N2S2/c1-2-3-5-9-6-4-7-10-8(11)12/h9H,2-7H2,1H3,(H2,10,11,12)
InChIKey
XDQSLSMXWSKEMB-UHFFFAOYSA-N
Compound name
3-(butylamino)propylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.09114 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.098416 144.1
[M+Na]+ 229.080358 148.5
[M-H]- 205.083864 143.4
[M+NH4]+ 224.124963 162.8
[M+K]+ 245.054298 144.3
[M+H-H2O]+ 189.088400 137.5
[M+HCOO]- 251.089341 156.3
[M+CH3COO]- 265.104991 190.7
[M+Na-2H]- 227.065806 143.9
[M]+ 206.09059142 145.5
[M]- 206.09168858 145.5
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.