CID 439260

Norepinephrine

Structural Information

Molecular Formula

C₈H₁₁NO₃

SMILES

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

InChI

InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1

InChIKey

SFLSHLFXELFNJZ-QMMMGPOBSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 100225
References: 117484
Patents: 169.0739 Da
Monoisotopic Mass: -1.2
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]+	170.081176	134.7
[M+Na]+	192.063118	141.8
[M-H]-	168.066624	134.4
[M+NH4]+	187.107723	152.8
[M+K]+	208.037058	139.2
[M+H-H2O]+	152.071160	129.5
[M+HCOO]-	214.072101	155.0
[M+CH3COO]-	228.087751	174.5
[M+Na-2H]-	190.048566	138.4
[M]+	169.07335142	131.2
[M]-	169.07444858	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe