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 145.0
[M+Na]+ 264.06333 148.0
[M-H]- 240.06683 141.1
[M+NH4]+ 259.10793 160.2
[M+K]+ 280.03727 140.7
[M+H-H2O]+ 224.07137 137.3
[M+HCOO]- 286.07231 149.7
[M+CH3COO]- 300.08796 197.8
[M+Na-2H]- 262.04878 142.5
[M]+ 241.07356 141.9
[M]- 241.07466 141.9
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.