CID 3034902

68758-88-3

Structural Information

Molecular Formula
C6H13N3S4
SMILES
C(CNC(=S)S)NCCNC(=S)S
InChI
InChI=1S/C6H13N3S4/c10-5(11)8-3-1-7-2-4-9-6(12)13/h7H,1-4H2,(H2,8,10,11)(H2,9,12,13)
InChIKey
QLWKFMNDQVYPBM-UHFFFAOYSA-N
Compound name
2-[2-(dithiocarboxyamino)ethylamino]ethylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

254.99924 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.00652 150.4
[M+Na]+ 277.98846 153.5
[M-H]- 253.99196 146.9
[M+NH4]+ 273.03306 164.6
[M+K]+ 293.96240 143.8
[M+H-H2O]+ 237.99650 142.3
[M+HCOO]- 299.99744 149.4
[M+CH3COO]- 314.01309 200.5
[M+Na-2H]- 275.97391 149.7
[M]+ 254.99869 145.3
[M]- 254.99979 145.3
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