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 152.7
[M+Na]+ 265.06510 157.3
[M-H]- 241.06860 149.8
[M+NH4]+ 260.10970 168.6
[M+K]+ 281.03904 152.9
[M+H-H2O]+ 225.07314 146.6
[M+HCOO]- 287.07408 162.1
[M+CH3COO]- 301.08973 190.5
[M+Na-2H]- 263.05055 154.7
[M]+ 242.07533 153.7
[M]- 242.07643 153.7
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.