CID 90150

S-(2-((3-aminopropyl)amino)-2-methyl) hydrogen thiosulfate hydrochloride

Structural Information

Molecular Formula
C7H18N2O3S2
SMILES
CC(C)(CSS(=O)(=O)O)NCCCN
InChI
InChI=1S/C7H18N2O3S2/c1-7(2,9-5-3-4-8)6-13-14(10,11)12/h9H,3-6,8H2,1-2H3,(H,10,11,12)
InChIKey
NXKBYHXQJLONID-UHFFFAOYSA-N
Compound name
2-(3-aminopropylamino)-2-methyl-1-sulfosulfanylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.07588 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08316 155.5
[M+Na]+ 265.06510 159.7
[M+NH4]+ 260.10970 160.7
[M+K]+ 281.03904 153.9
[M-H]- 241.06860 152.6
[M+Na-2H]- 263.05055 154.9
[M]+ 242.07533 155.7
[M]- 242.07643 155.7
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.