CID 211328

Alpha,alpha-bis(2-aminoethylthio)toluene dihydrochloride

Structural Information

Molecular Formula
C11H18N2S2
SMILES
C1=CC=C(C=C1)C(SCCN)SCCN
InChI
InChI=1S/C11H18N2S2/c12-6-8-14-11(15-9-7-13)10-4-2-1-3-5-10/h1-5,11H,6-9,12-13H2
InChIKey
ADHTVJSHWYFKCY-UHFFFAOYSA-N
Compound name
2-[2-aminoethylsulfanyl(phenyl)methyl]sulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.09114 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09842 150.2
[M+Na]+ 265.08036 155.0
[M-H]- 241.08386 151.5
[M+NH4]+ 260.12496 167.0
[M+K]+ 281.05430 149.1
[M+H-H2O]+ 225.08840 143.1
[M+HCOO]- 287.08934 162.4
[M+CH3COO]- 301.10499 195.1
[M+Na-2H]- 263.06581 150.0
[M]+ 242.09059 149.5
[M]- 242.09169 149.5
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

No patent data available for this compound.