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]+ 195.16178 143.0
[M+Na]+ 217.14372 148.2
[M-H]- 193.14722 146.7
[M+NH4]+ 212.18832 162.2
[M+K]+ 233.11766 141.7
[M+H-H2O]+ 177.15176 140.3
[M+HCOO]- 239.15270 163.9
[M+CH3COO]- 253.16835 182.4
[M+Na-2H]- 215.12917 150.6
[M]+ 194.15395 141.3
[M]- 194.15505 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