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]+ 226.056606 141.7
[M+Na]+ 248.038548 143.7
[M-H]- 224.042054 142.0
[M+NH4]+ 243.083153 151.9
[M+K]+ 264.012488 143.3
[M+H-H2O]+ 208.046590 128.9
[M+HCOO]- 270.047531 150.7
[M+CH3COO]- 284.063181 187.0
[M+Na-2H]- 246.023996 142.8
[M]+ 225.04878142 150.6
[M]- 225.04987858 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.