CID 119767

Brn 2837468

Structural Information

Molecular Formula
C7H15NO3S2
SMILES
C1CC(C1)CNCCSS(=O)(=O)O
InChI
InChI=1S/C7H15NO3S2/c9-13(10,11)12-5-4-8-6-7-2-1-3-7/h7-8H,1-6H2,(H,9,10,11)
InChIKey
YXJLHNFODZRWOV-UHFFFAOYSA-N
Compound name
(2-sulfosulfanylethylamino)methylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.04933 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.05661 141.7
[M+Na]+ 248.03855 143.7
[M-H]- 224.04205 142.0
[M+NH4]+ 243.08315 151.9
[M+K]+ 264.01249 143.3
[M+H-H2O]+ 208.04659 128.9
[M+HCOO]- 270.04753 150.7
[M+CH3COO]- 284.06318 187.0
[M+Na-2H]- 246.02400 142.8
[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.