CID 99143

Methanethiol, n-cyclopropylamidino-, hydrogen thiosulfate

Structural Information

Molecular Formula
C5H10N2O3S2
SMILES
C1CC1N=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C5H10N2O3S2/c6-5(7-4-1-2-4)3-11-12(8,9)10/h4H,1-3H2,(H2,6,7)(H,8,9,10)
InChIKey
LGEYZYKILBJRED-UHFFFAOYSA-N
Compound name
[(1-amino-2-sulfosulfanylethylidene)amino]cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.01329 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02057 135.5
[M+Na]+ 233.00251 142.8
[M-H]- 209.00601 138.6
[M+NH4]+ 228.04711 148.6
[M+K]+ 248.97645 137.9
[M+H-H2O]+ 193.01055 128.9
[M+HCOO]- 255.01149 148.5
[M+CH3COO]- 269.02714 187.5
[M+Na-2H]- 230.98796 138.1
[M]+ 210.01274 138.3
[M]- 210.01384 138.3
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

No patent data available for this compound.