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
6
Annotation Hits

105
References

10254
Patents

179.13101 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.138286 141.8
[M+Na]+ 202.120228 146.7
[M-H]- 178.123734 145.2
[M+NH4]+ 197.164833 161.3
[M+K]+ 218.094168 146.2
[M+H-H2O]+ 162.128270 135.6
[M+HCOO]- 224.129211 163.9
[M+CH3COO]- 238.144861 186.8
[M+Na-2H]- 200.105676 145.4
[M]+ 179.13046142 141.2
[M]- 179.13155858 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