CID 9910520

(-)-n,n-dimethylephedrinium bromide

Structural Information

Molecular Formula
C12H20NO
SMILES
C[C@@H]([C@@H](C1=CC=CC=C1)O)[N+](C)(C)C
InChI
InChI=1S/C12H20NO/c1-10(13(2,3)4)12(14)11-8-6-5-7-9-11/h5-10,12,14H,1-4H3/q+1/t10-,12-/m0/s1
InChIKey
QKAWKVWXRHHPJG-JQWIXIFHSA-N
Compound name
[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

194.1545 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.161776 143.0
[M+Na]+ 217.143718 148.2
[M-H]- 193.147224 146.7
[M+NH4]+ 212.188323 162.2
[M+K]+ 233.117658 141.7
[M+H-H2O]+ 177.151760 140.3
[M+HCOO]- 239.152701 163.9
[M+CH3COO]- 253.168351 182.4
[M+Na-2H]- 215.129166 150.6
[M]+ 194.15395142 141.3
[M]- 194.15504858 141.3
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