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: 10953
Patents: 179.13101 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	180.13829	141.4
[M+Na]+	202.12023	152.2
[M+NH4]+	197.16483	149.9
[M+K]+	218.09417	147.0
[M-H]-	178.12373	143.9
[M+Na-2H]-	200.10568	147.8
[M]+	179.13046	143.6
[M]-	179.13156	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe