CID 90722

22059-33-2

Structural Information

Molecular Formula
C4H11N3O3S2
SMILES
CN=C(N)NCCSS(=O)(=O)O
InChI
InChI=1S/C4H11N3O3S2/c1-6-4(5)7-2-3-11-12(8,9)10/h2-3H2,1H3,(H3,5,6,7)(H,8,9,10)
InChIKey
NCRVPKSUUBCYGU-UHFFFAOYSA-N
Compound name
1-[(N'-methylcarbamimidoyl)amino]-2-sulfosulfanylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.02419 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.03147 141.8
[M+Na]+ 236.01341 147.0
[M-H]- 212.01691 140.7
[M+NH4]+ 231.05801 159.0
[M+K]+ 251.98735 143.5
[M+H-H2O]+ 196.02145 135.1
[M+HCOO]- 258.02239 155.0
[M+CH3COO]- 272.03804 187.3
[M+Na-2H]- 233.99886 144.1
[M]+ 213.02364 141.7
[M]- 213.02474 141.7
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.