CID 119770

Brn 2741393

Structural Information

Molecular Formula
C10H15NO4S2
SMILES
COC1=CC=C(C=C1)CNCCSS(=O)(=O)O
InChI
InChI=1S/C10H15NO4S2/c1-15-10-4-2-9(3-5-10)8-11-6-7-16-17(12,13)14/h2-5,11H,6-8H2,1H3,(H,12,13,14)
InChIKey
YJOXSXGKJMRYKX-UHFFFAOYSA-N
Compound name
1-methoxy-4-[(2-sulfosulfanylethylamino)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.04425 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.05153 159.5
[M+Na]+ 300.03347 167.9
[M+NH4]+ 295.07807 165.9
[M+K]+ 316.00741 159.9
[M-H]- 276.03697 159.6
[M+Na-2H]- 298.01892 162.8
[M]+ 277.04370 161.4
[M]- 277.04480 161.4
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.