CID 56734

94119-84-3

Structural Information

Molecular Formula
C5H11N3O2S
SMILES
C(CN)C(C(=O)O)SC(=N)N
InChI
InChI=1S/C5H11N3O2S/c6-2-1-3(4(9)10)11-5(7)8/h3H,1-2,6H2,(H3,7,8)(H,9,10)
InChIKey
KWTLHVJOPALSGD-UHFFFAOYSA-N
Compound name
4-amino-2-carbamimidoylsulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.0572 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06448 138.0
[M+Na]+ 200.04642 142.0
[M+NH4]+ 195.09102 143.3
[M+K]+ 216.02036 138.7
[M-H]- 176.04992 136.2
[M+Na-2H]- 198.03187 137.8
[M]+ 177.05665 137.7
[M]- 177.05775 137.7
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.