CID 413295

2-(methanesulfonylsulfanyl)ethan-1-amine hydrobromide

Structural Information

Molecular Formula
C3H9NO2S2
SMILES
CS(=O)(=O)SCCN
InChI
InChI=1S/C3H9NO2S2/c1-8(5,6)7-3-2-4/h2-4H2,1H3
InChIKey
POKQFZURBRODMI-UHFFFAOYSA-N
Compound name
2-methylsulfonylsulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

44
References

165
Patents

155.00748 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.01476 128.5
[M+Na]+ 177.99670 136.4
[M-H]- 154.00020 128.3
[M+NH4]+ 173.04130 149.3
[M+K]+ 193.97064 133.3
[M+H-H2O]+ 138.00474 123.4
[M+HCOO]- 200.00568 141.1
[M+CH3COO]- 214.02133 173.7
[M+Na-2H]- 175.98215 130.7
[M]+ 155.00693 130.1
[M]- 155.00803 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe