CID 21100

Metanephrine

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

CNCC(C1=CC(=C(C=C1)O)OC)O

InChI

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

InChIKey

JWJCTZKFYGDABJ-UHFFFAOYSA-N

Compound name

4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1166
References: 1771
Patents: 197.1052 Da
Monoisotopic Mass: -1.0
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	142.7
[M+Na]+	220.09442	149.4
[M-H]-	196.09792	143.9
[M+NH4]+	215.13902	160.7
[M+K]+	236.06836	147.5
[M+H-H2O]+	180.10246	136.9
[M+HCOO]-	242.10340	164.6
[M+CH3COO]-	256.11905	183.5
[M+Na-2H]-	218.07987	146.9
[M]+	197.10465	142.9
[M]-	197.10575	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe