CID 30752

Brn 3081503

Structural Information

Molecular Formula
C4H11NO3S2
SMILES
C(CCSS(=O)(=O)O)CN
InChI
InChI=1S/C4H11NO3S2/c5-3-1-2-4-9-10(6,7)8/h1-5H2,(H,6,7,8)
InChIKey
WMKNOQCAEUTEEI-UHFFFAOYSA-N
Compound name
1-amino-4-sulfosulfanylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

185.01804 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.025316 136.1
[M+Na]+ 208.007258 142.8
[M-H]- 184.010764 134.0
[M+NH4]+ 203.051863 154.7
[M+K]+ 223.981198 138.8
[M+H-H2O]+ 168.015300 130.8
[M+HCOO]- 230.016241 147.1
[M+CH3COO]- 244.031891 176.2
[M+Na-2H]- 205.992706 137.7
[M]+ 185.01749142 137.6
[M]- 185.01858858 137.6
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

patents stripe