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

23
Patents

239.98833 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.99561 148.1
[M+Na]+ 262.97755 152.2
[M-H]- 238.98105 145.1
[M+NH4]+ 258.02215 163.4
[M+K]+ 278.95149 143.0
[M+H-H2O]+ 222.98559 140.7
[M+HCOO]- 284.98653 146.5
[M+CH3COO]- 299.00218 196.0
[M+Na-2H]- 260.96300 146.5
[M]+ 239.98778 144.0
[M]- 239.98888 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