CID 3035779

U-77864

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CC1=CC=CC=C1C(CC(=O)N)O

InChI

InChI=1S/C10H13NO2/c1-7-4-2-3-5-8(7)9(12)6-10(11)13/h2-5,9,12H,6H2,1H3,(H2,11,13)

InChIKey

LKTRKUPEDMMAQL-UHFFFAOYSA-N

Compound name

3-hydroxy-3-(2-methylphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 179.09464 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]+	180.101916	139.3
[M+Na]+	202.083858	145.6
[M-H]-	178.087364	141.2
[M+NH4]+	197.128463	158.1
[M+K]+	218.057798	143.6
[M+H-H2O]+	162.091900	133.5
[M+HCOO]-	224.092841	161.1
[M+CH3COO]-	238.108491	182.0
[M+Na-2H]-	200.069306	142.4
[M]+	179.09409142	137.2
[M]-	179.09518858	137.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.