CID 218160

40283-78-1

Structural Information

Molecular Formula
C5H12N2O4S2
SMILES
C(CN=C(CSS(=O)(=O)O)N)CO
InChI
InChI=1S/C5H12N2O4S2/c6-5(7-2-1-3-8)4-12-13(9,10)11/h8H,1-4H2,(H2,6,7)(H,9,10,11)
InChIKey
BKQCNUPZIBYHSN-UHFFFAOYSA-N
Compound name
1-[(1-amino-2-sulfosulfanylethylidene)amino]-3-hydroxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.02385 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.03113 145.8
[M+Na]+ 251.01307 150.8
[M-H]- 227.01657 143.2
[M+NH4]+ 246.05767 162.0
[M+K]+ 266.98701 146.7
[M+H-H2O]+ 211.02111 139.5
[M+HCOO]- 273.02205 156.7
[M+CH3COO]- 287.03770 185.6
[M+Na-2H]- 248.99852 147.0
[M]+ 228.02330 146.7
[M]- 228.02440 146.7
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.