CID 90168

23563-74-8

Structural Information

Molecular Formula
C10H16N2O3S2
SMILES
C1=CC=C(C=C1)NCCNCCSS(=O)(=O)O
InChI
InChI=1S/C10H16N2O3S2/c13-17(14,15)16-9-8-11-6-7-12-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,13,14,15)
InChIKey
MKLXZHHTNGKIQR-UHFFFAOYSA-N
Compound name
[2-(2-sulfosulfanylethylamino)ethylamino]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.06024 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06752 157.4
[M+Na]+ 299.04946 162.5
[M-H]- 275.05296 158.4
[M+NH4]+ 294.09406 172.3
[M+K]+ 315.02340 156.7
[M+H-H2O]+ 259.05750 150.4
[M+HCOO]- 321.05844 170.2
[M+CH3COO]- 335.07409 195.0
[M+Na-2H]- 297.03491 161.5
[M]+ 276.05969 159.1
[M]- 276.06079 159.1
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.