CID 3006167

Bis[2-(dithiocarboxyamino)ethyl]carbamodithioic acid

Structural Information

Molecular Formula
C7H13N3S6
SMILES
C(CN(CCNC(=S)S)C(=S)S)NC(=S)S
InChI
InChI=1S/C7H13N3S6/c11-5(12)8-1-3-10(7(15)16)4-2-9-6(13)14/h1-4H2,(H,15,16)(H2,8,11,12)(H2,9,13,14)
InChIKey
ZWVPTPAMFHHXNH-UHFFFAOYSA-N
Compound name
bis[2-(dithiocarboxyamino)ethyl]carbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

330.94336 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.95064 181.4
[M+Na]+ 353.93258 182.4
[M-H]- 329.93608 174.8
[M+NH4]+ 348.97718 189.8
[M+K]+ 369.90652 167.0
[M+H-H2O]+ 313.94062 171.4
[M+HCOO]- 375.94156 166.3
[M+CH3COO]- 389.95721 217.4
[M+Na-2H]- 351.91803 180.9
[M]+ 330.94281 168.4
[M]- 330.94391 168.4
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