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 132.9
[M+Na]+ 171.09264 138.0
[M-H]- 147.09614 132.4
[M+NH4]+ 166.13724 153.8
[M+K]+ 187.06658 136.5
[M+H-H2O]+ 131.10068 127.1
[M+HCOO]- 193.10162 151.2
[M+CH3COO]- 207.11727 180.9
[M+Na-2H]- 169.07809 134.6
[M]+ 148.10287 132.7
[M]- 148.10397 132.7
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.