CID 90724

Brn 3053114

Structural Information

Molecular Formula
C6H15N3O3S2
SMILES
CC(C)NC(=NCCSS(=O)(=O)O)N
InChI
InChI=1S/C6H15N3O3S2/c1-5(2)9-6(7)8-3-4-13-14(10,11)12/h5H,3-4H2,1-2H3,(H3,7,8,9)(H,10,11,12)
InChIKey
IVKYJUDNDGNWHL-UHFFFAOYSA-N
Compound name
2-[[N'-(2-sulfosulfanylethyl)carbamimidoyl]amino]propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.05548 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06276 150.6
[M+Na]+ 264.04470 154.6
[M-H]- 240.04820 149.1
[M+NH4]+ 259.08930 166.6
[M+K]+ 280.01864 151.2
[M+H-H2O]+ 224.05274 143.5
[M+HCOO]- 286.05368 162.1
[M+CH3COO]- 300.06933 194.1
[M+Na-2H]- 262.03015 151.1
[M]+ 241.05493 150.7
[M]- 241.05603 150.7
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.