CID 3034009

S-ephedrine hydrochloride

Structural Information

Molecular Formula
C10H15NS
SMILES
C[C@@H]([C@@H](C1=CC=CC=C1)S)NC
InChI
InChI=1S/C10H15NS/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1
InChIKey
QTTCJJGIROEAEK-WPRPVWTQSA-N
Compound name
(1R,2S)-2-(methylamino)-1-phenylpropane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.09251 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09979 139.5
[M+Na]+ 204.08173 150.6
[M+NH4]+ 199.12633 149.1
[M+K]+ 220.05567 142.4
[M-H]- 180.08523 142.9
[M+Na-2H]- 202.06718 146.2
[M]+ 181.09196 142.5
[M]- 181.09306 142.5
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.