CID 25882

Cyclobutylnoradrenalone hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₅NO₃

SMILES

C1CC(C1)NCC(=O)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C12H15NO3/c14-10-5-4-8(6-11(10)15)12(16)7-13-9-2-1-3-9/h4-6,9,13-15H,1-3,7H2

InChIKey

DIXKOFLNBQFVTB-UHFFFAOYSA-N

Compound name

2-(cyclobutylamino)-1-(3,4-dihydroxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.1052 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]+	222.112476	148.7
[M+Na]+	244.094418	152.6
[M-H]-	220.097924	152.4
[M+NH4]+	239.139023	158.6
[M+K]+	260.068358	153.1
[M+H-H2O]+	204.102460	136.5
[M+HCOO]-	266.103401	168.1
[M+CH3COO]-	280.119051	190.1
[M+Na-2H]-	242.079866	151.3
[M]+	221.10465142	154.5
[M]-	221.10574858	154.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.