CID 70925

2-propylaminoethanethiol hydrogen sulfate (ester)

Structural Information

Molecular Formula
C5H13NO3S2
SMILES
CCCNCCSS(=O)(=O)O
InChI
InChI=1S/C5H13NO3S2/c1-2-3-6-4-5-10-11(7,8)9/h6H,2-5H2,1H3,(H,7,8,9)
InChIKey
JFTLKSYFPKTYDE-UHFFFAOYSA-N
Compound name
1-(2-sulfosulfanylethylamino)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.03369 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.04097 142.8
[M+Na]+ 222.02291 149.4
[M+NH4]+ 217.06751 149.3
[M+K]+ 237.99685 142.2
[M-H]- 198.02641 140.7
[M+Na-2H]- 220.00836 143.4
[M]+ 199.03314 143.7
[M]- 199.03424 143.7
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.