CID 31564

Tris(2-aminoethylthio)methane trihydrochloride

Structural Information

Molecular Formula
C7H19N3S3
SMILES
C(CSC(SCCN)SCCN)N
InChI
InChI=1S/C7H19N3S3/c8-1-4-11-7(12-5-2-9)13-6-3-10/h7H,1-6,8-10H2
InChIKey
DQIIHZQKANIISL-UHFFFAOYSA-N
Compound name
2-[bis(2-aminoethylsulfanyl)methylsulfanyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.07411 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08139 144.8
[M+Na]+ 264.06333 148.5
[M+NH4]+ 259.10793 152.2
[M+K]+ 280.03727 139.8
[M-H]- 240.06683 145.6
[M+Na-2H]- 262.04878 144.8
[M]+ 241.07356 146.4
[M]- 241.07466 146.4
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.