CID 3042972

Jpb 15

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

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

InChI

InChI=1S/C10H13NO2/c1-3-9(12)7-4-5-8(11-2)10(13)6-7/h4-6,11,13H,3H2,1-2H3

InChIKey

MOHSEPCKUHKLSL-UHFFFAOYSA-N

Compound name

1-[3-hydroxy-4-(methylamino)phenyl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.09464 Da
Monoisotopic Mass: 1.7
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]+	180.101916	137.8
[M+Na]+	202.083858	145.4
[M-H]-	178.087364	140.6
[M+NH4]+	197.128463	157.3
[M+K]+	218.057798	143.2
[M+H-H2O]+	162.091900	132.2
[M+HCOO]-	224.092841	161.2
[M+CH3COO]-	238.108491	182.9
[M+Na-2H]-	200.069306	142.6
[M]+	179.09409142	137.8
[M]-	179.09518858	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.