CID 70478

1002-08-0

Structural Information

Molecular Formula
C4H11NO3S2
SMILES
CCNCCSS(=O)(=O)O
InChI
InChI=1S/C4H11NO3S2/c1-2-5-3-4-9-10(6,7)8/h5H,2-4H2,1H3,(H,6,7,8)
InChIKey
ZVRYGOWMYYDRID-UHFFFAOYSA-N
Compound name
1-(ethylamino)-2-sulfosulfanylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.01804 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.025316 135.9
[M+Na]+ 208.007258 142.7
[M-H]- 184.010764 134.5
[M+NH4]+ 203.051863 154.9
[M+K]+ 223.981198 139.1
[M+H-H2O]+ 168.015300 130.6
[M+HCOO]- 230.016241 147.6
[M+CH3COO]- 244.031891 176.8
[M+Na-2H]- 205.992706 138.6
[M]+ 185.01749142 138.4
[M]- 185.01858858 138.4
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.