CID 64782

Methylephedrine

Structural Information

Molecular Formula
C11H17NO
SMILES
C[C@@H]([C@@H](C1=CC=CC=C1)O)N(C)C
InChI
InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/t9-,11-/m0/s1
InChIKey
FMCGSUUBYTWNDP-ONGXEEELSA-N
Compound name
(1R,2S)-2-(dimethylamino)-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

105
References

11192
Patents

179.13101 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 141.8
[M+Na]+ 202.12023 146.7
[M-H]- 178.12373 145.2
[M+NH4]+ 197.16483 161.3
[M+K]+ 218.09417 146.2
[M+H-H2O]+ 162.12827 135.6
[M+HCOO]- 224.12921 163.9
[M+CH3COO]- 238.14486 186.8
[M+Na-2H]- 200.10568 145.4
[M]+ 179.13046 141.2
[M]- 179.13156 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe