CID 5816

Epinephrine

Structural Information

Molecular Formula

C₉H₁₃NO₃

SMILES

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

InChI

InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1

InChIKey

UCTWMZQNUQWSLP-VIFPVBQESA-N

Compound name

4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 64814
References: 123762
Patents: 183.08954 Da
Monoisotopic Mass: -1.4
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]+	184.09682	138.7
[M+Na]+	206.07876	145.3
[M-H]-	182.08226	138.7
[M+NH4]+	201.12336	156.5
[M+K]+	222.05270	142.8
[M+H-H2O]+	166.08680	133.3
[M+HCOO]-	228.08774	159.3
[M+CH3COO]-	242.10339	178.0
[M+Na-2H]-	204.06421	142.9
[M]+	183.08899	136.6
[M]-	183.09009	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe