CID 3042015

N-acetylphenylephrine

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

CC(=O)N(C)C[C@@H](C1=CC(=CC=C1)O)O

InChI

InChI=1S/C11H15NO3/c1-8(13)12(2)7-11(15)9-4-3-5-10(14)6-9/h3-6,11,14-15H,7H2,1-2H3/t11-/m0/s1

InChIKey

OSJFSDYUAXAPLF-NSHDSACASA-N

Compound name

N-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 209.1052 Da
Monoisotopic Mass: 0.2
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]+	210.112476	146.6
[M+Na]+	232.094418	152.2
[M-H]-	208.097924	149.0
[M+NH4]+	227.139023	164.4
[M+K]+	248.068358	151.4
[M+H-H2O]+	192.102460	140.5
[M+HCOO]-	254.103401	167.9
[M+CH3COO]-	268.119051	188.1
[M+Na-2H]-	230.079866	149.1
[M]+	209.10465142	146.6
[M]-	209.10574858	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe