CID 292583

6375-17-3

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CC1=CC(=C(C=C1)O)NC(=O)C

InChI

InChI=1S/C9H11NO2/c1-6-3-4-9(12)8(5-6)10-7(2)11/h3-5,12H,1-2H3,(H,10,11)

InChIKey

DSEQJUPGRWESKP-UHFFFAOYSA-N

Compound name

N-(2-hydroxy-5-methylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 181
Patents: 165.07898 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]+	166.086256	133.4
[M+Na]+	188.068198	141.5
[M-H]-	164.071704	136.4
[M+NH4]+	183.112803	153.5
[M+K]+	204.042138	139.6
[M+H-H2O]+	148.076240	128.1
[M+HCOO]-	210.077181	157.2
[M+CH3COO]-	224.092831	179.2
[M+Na-2H]-	186.053646	138.8
[M]+	165.07843142	132.9
[M]-	165.07952858	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe