CID 90983

2-((3-aminopropyl)amino)propanethiol dihydrochloride

Structural Information

Molecular Formula
C6H16N2S
SMILES
CC(CS)NCCCN
InChI
InChI=1S/C6H16N2S/c1-6(5-9)8-4-2-3-7/h6,8-9H,2-5,7H2,1H3
InChIKey
DOQFPPQRUAAZIW-UHFFFAOYSA-N
Compound name
2-(3-aminopropylamino)propane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.10342 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.11070 132.6
[M+Na]+ 171.09264 140.2
[M+NH4]+ 166.13724 141.0
[M+K]+ 187.06658 133.3
[M-H]- 147.09614 133.5
[M+Na-2H]- 169.07809 135.4
[M]+ 148.10287 134.1
[M]- 148.10397 134.1
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.