CID 3049944

(r*,r*)-(+-)-s-(2-(methylamino)-1-phenylpropyl) thiosulfate

Structural Information

Molecular Formula
C10H15NO3S2
SMILES
C[C@@H]([C@@H](C1=CC=CC=C1)OS(=O)(=S)O)NC
InChI
InChI=1S/C10H15NO3S2/c1-8(11-2)10(14-16(12,13)15)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3,(H,12,13,15)/t8-,10-/m0/s1
InChIKey
ZQHDYBIBOWAESI-WPRPVWTQSA-N
Compound name
(1R,2S)-1-hydroxysulfonothioyloxy-N-methyl-1-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.04935 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.05663 155.4
[M+Na]+ 284.03857 163.3
[M+NH4]+ 279.08317 162.2
[M+K]+ 300.01251 156.2
[M-H]- 260.04207 155.6
[M+Na-2H]- 282.02402 158.9
[M]+ 261.04880 157.2
[M]- 261.04990 157.2
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.