CID 11139

N-methylepinephrine

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

CN(C)CC(C1=CC(=C(C=C1)O)O)O

InChI

InChI=1S/C10H15NO3/c1-11(2)6-10(14)7-3-4-8(12)9(13)5-7/h3-5,10,12-14H,6H2,1-2H3

InChIKey

RLATYNCITHOLTJ-UHFFFAOYSA-N

Compound name

4-[2-(dimethylamino)-1-hydroxyethyl]benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 120
Patents: 197.1052 Da
Monoisotopic Mass: -0.3
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]+	198.11248	143.0
[M+Na]+	220.09442	149.4
[M-H]-	196.09792	144.4
[M+NH4]+	215.13902	160.9
[M+K]+	236.06836	148.1
[M+H-H2O]+	180.10246	137.4
[M+HCOO]-	242.10340	163.9
[M+CH3COO]-	256.11905	184.4
[M+Na-2H]-	218.07987	146.0
[M]+	197.10465	142.6
[M]-	197.10575	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe