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]+ 186.02532 135.9
[M+Na]+ 208.00726 142.7
[M-H]- 184.01076 134.5
[M+NH4]+ 203.05186 154.9
[M+K]+ 223.98120 139.1
[M+H-H2O]+ 168.01530 130.6
[M+HCOO]- 230.01624 147.6
[M+CH3COO]- 244.03189 176.8
[M+Na-2H]- 205.99271 138.6
[M]+ 185.01749 138.4
[M]- 185.01859 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.