CID 3041846

Carbamodithioic acid, 1,4-butanediylbis-, disodium salt

Structural Information

Molecular Formula
C6H12N2S4
SMILES
C(CCNC(=S)S)CNC(=S)S
InChI
InChI=1S/C6H12N2S4/c9-5(10)7-3-1-2-4-8-6(11)12/h1-4H2,(H2,7,9,10)(H2,8,11,12)
InChIKey
YVURCWKMXCBKDA-UHFFFAOYSA-N
Compound name
4-(dithiocarboxyamino)butylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

239.98833 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.995606 148.1
[M+Na]+ 262.977548 152.2
[M-H]- 238.981054 145.1
[M+NH4]+ 258.022153 163.4
[M+K]+ 278.951488 143.0
[M+H-H2O]+ 222.985590 140.7
[M+HCOO]- 284.986531 146.5
[M+CH3COO]- 299.002181 196.0
[M+Na-2H]- 260.962996 146.5
[M]+ 239.98778142 144.0
[M]- 239.98887858 144.0
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