CID 90153

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

Structural Information

Molecular Formula
C7H18N2S
SMILES
CC(C)(CS)NCCCN
InChI
InChI=1S/C7H18N2S/c1-7(2,6-10)9-5-3-4-8/h9-10H,3-6,8H2,1-2H3
InChIKey
UTFJWSWSDHOHPG-UHFFFAOYSA-N
Compound name
2-(3-aminopropylamino)-2-methylpropane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.11906 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.12634 137.4
[M+Na]+ 185.10828 142.8
[M-H]- 161.11178 137.0
[M+NH4]+ 180.15288 158.0
[M+K]+ 201.08222 140.9
[M+H-H2O]+ 145.11632 132.0
[M+HCOO]- 207.11726 155.0
[M+CH3COO]- 221.13291 183.4
[M+Na-2H]- 183.09373 140.5
[M]+ 162.11851 137.8
[M]- 162.11961 137.8
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.