CID 74325

Parapropamol

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CCC(=O)NC1=CC=C(C=C1)O

InChI

InChI=1S/C9H11NO2/c1-2-9(12)10-7-3-5-8(11)6-4-7/h3-6,11H,2H2,1H3,(H,10,12)

InChIKey

SSMYTAQHMUHRSK-UHFFFAOYSA-N

Compound name

N-(4-hydroxyphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 283
Patents: 165.07898 Da
Monoisotopic Mass: 1.3
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]+	166.086256	133.9
[M+Na]+	188.068198	141.0
[M-H]-	164.071704	136.5
[M+NH4]+	183.112803	153.7
[M+K]+	204.042138	139.1
[M+H-H2O]+	148.076240	128.3
[M+HCOO]-	210.077181	157.7
[M+CH3COO]-	224.092831	178.0
[M+Na-2H]-	186.053646	139.9
[M]+	165.07843142	133.0
[M]-	165.07952858	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe