CID 210312

21220-85-9

Structural Information

Molecular Formula
C7H15NO3S2
SMILES
C=CCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C7H15NO3S2/c1-2-3-4-5-8-6-7-12-13(9,10)11/h2,8H,1,3-7H2,(H,9,10,11)
InChIKey
ZPUVUZINLZADOT-UHFFFAOYSA-N
Compound name
5-(2-sulfosulfanylethylamino)pent-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.04933 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.05661 147.7
[M+Na]+ 248.03855 153.4
[M-H]- 224.04205 145.7
[M+NH4]+ 243.08315 165.0
[M+K]+ 264.01249 148.6
[M+H-H2O]+ 208.04659 141.9
[M+HCOO]- 270.04753 158.7
[M+CH3COO]- 284.06318 184.8
[M+Na-2H]- 246.02400 149.1
[M]+ 225.04878 150.6
[M]- 225.04988 150.6
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.