CID 18538

Ethylnorepinephrine

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

CCC(C(C1=CC(=C(C=C1)O)O)O)N

InChI

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

InChIKey

LENNRXOJHWNHSD-UHFFFAOYSA-N

Compound name

4-(2-amino-1-hydroxybutyl)benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 10
References: 4718
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]+	198.112476	144.2
[M+Na]+	220.094418	150.2
[M-H]-	196.097924	143.6
[M+NH4]+	215.139023	161.1
[M+K]+	236.068358	147.7
[M+H-H2O]+	180.102460	138.8
[M+HCOO]-	242.103401	162.9
[M+CH3COO]-	256.119051	181.5
[M+Na-2H]-	218.079866	145.5
[M]+	197.10465142	140.9
[M]-	197.10574858	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe