CID 31585

Bis(2-aminoethylthio)methane dihydrochloride

Structural Information

Molecular Formula
C5H14N2S2
SMILES
C(CSCSCCN)N
InChI
InChI=1S/C5H14N2S2/c6-1-3-8-5-9-4-2-7/h1-7H2
InChIKey
KJNRRILYMLFXMY-UHFFFAOYSA-N
Compound name
2-(2-aminoethylsulfanylmethylsulfanyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

166.05984 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06712 130.9
[M+Na]+ 189.04906 136.5
[M-H]- 165.05256 129.4
[M+NH4]+ 184.09366 150.7
[M+K]+ 205.02300 132.4
[M+H-H2O]+ 149.05710 124.7
[M+HCOO]- 211.05804 143.7
[M+CH3COO]- 225.07369 181.3
[M+Na-2H]- 187.03451 131.1
[M]+ 166.05929 130.5
[M]- 166.06039 130.5
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

patents stripe