CID 2735412

3-(methanesulfonylsulfanyl)propan-1-amine hydrobromide

Structural Information

Molecular Formula
C4H11NO2S2
SMILES
CS(=O)(=O)SCCCN
InChI
InChI=1S/C4H11NO2S2/c1-9(6,7)8-4-2-3-5/h2-5H2,1H3
InChIKey
VNSAROOCJXPTPB-UHFFFAOYSA-N
Compound name
3-methylsulfonylsulfanylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

20
Patents

169.02312 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.03040 132.7
[M+Na]+ 192.01234 140.2
[M-H]- 168.01584 132.3
[M+NH4]+ 187.05694 152.9
[M+K]+ 207.98628 136.8
[M+H-H2O]+ 152.02038 127.5
[M+HCOO]- 214.02132 145.1
[M+CH3COO]- 228.03697 176.7
[M+Na-2H]- 189.99779 134.5
[M]+ 169.02257 134.7
[M]- 169.02367 134.7
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.