CID 3033027

Dithio(4-aminobutyl)carbamic acid inner salt

Structural Information

Molecular Formula
C5H12N2S2
SMILES
C(CCNC(=S)S)CN
InChI
InChI=1S/C5H12N2S2/c6-3-1-2-4-7-5(8)9/h1-4,6H2,(H2,7,8,9)
InChIKey
PDNFAKPDBGFCHJ-UHFFFAOYSA-N
Compound name
4-aminobutylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

164.04419 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.05147 133.3
[M+Na]+ 187.03341 140.3
[M+NH4]+ 182.07801 141.6
[M+K]+ 203.00735 131.8
[M-H]- 163.03691 134.1
[M+Na-2H]- 185.01886 135.2
[M]+ 164.04364 135.1
[M]- 164.04474 135.1
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.