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]+ 207.09842 144.1
[M+Na]+ 229.08036 148.5
[M-H]- 205.08386 143.4
[M+NH4]+ 224.12496 162.8
[M+K]+ 245.05430 144.3
[M+H-H2O]+ 189.08840 137.5
[M+HCOO]- 251.08934 156.3
[M+CH3COO]- 265.10499 190.7
[M+Na-2H]- 227.06581 143.9
[M]+ 206.09059 145.5
[M]- 206.09169 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.