CID 123747

Norepinephrine sulfate

Structural Information

Molecular Formula

C₈H₁₁NO₆S

SMILES

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

InChI

InChI=1S/C8H11NO6S/c9-4-7(11)5-1-2-8(6(10)3-5)15-16(12,13)14/h1-3,7,10-11H,4,9H2,(H,12,13,14)/t7-/m0/s1

InChIKey

CVJMZWLHUCMEKO-ZETCQYMHSA-N

Compound name

[4-[(1R)-2-amino-1-hydroxyethyl]-2-hydroxyphenyl] hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 33
References: 10
Patents: 249.0307 Da
Monoisotopic Mass: -4.1
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]+	250.03798	148.7
[M+Na]+	272.01992	155.6
[M-H]-	248.02342	148.1
[M+NH4]+	267.06452	163.4
[M+K]+	287.99386	152.7
[M+H-H2O]+	232.02796	143.1
[M+HCOO]-	294.02890	162.9
[M+CH3COO]-	308.04455	184.1
[M+Na-2H]-	270.00537	151.1
[M]+	249.03015	149.7
[M]-	249.03125	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe