CID 2759844

76837-94-0

Structural Information

Molecular Formula
C5H4N4S4
SMILES
C(SC(=S)NC#N)SC(=S)NC#N
InChI
InChI=1S/C5H4N4S4/c6-1-8-4(10)12-3-13-5(11)9-2-7/h3H2,(H,8,10)(H,9,11)
InChIKey
FFWVGEMTNZEOSO-UHFFFAOYSA-N
Compound name
cyanocarbamothioylsulfanylmethyl N-cyanocarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.93188 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.93916 176.0
[M+Na]+ 270.92110 183.5
[M-H]- 246.92460 179.1
[M+NH4]+ 265.96570 187.0
[M+K]+ 286.89504 181.7
[M+H-H2O]+ 230.92914 162.0
[M+HCOO]- 292.93008 172.2
[M+CH3COO]- 306.94573 221.9
[M+Na-2H]- 268.90655 174.0
[M]+ 247.93133 166.7
[M]- 247.93243 166.7
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.