CID 80946

6470-18-4

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

CC(=O)NC1=CC=CC2=C1C=C(C=C2)O

InChI

InChI=1S/C12H11NO2/c1-8(14)13-12-4-2-3-9-5-6-10(15)7-11(9)12/h2-7,15H,1H3,(H,13,14)

InChIKey

ALNWQAFPXMGLTJ-UHFFFAOYSA-N

Compound name

N-(7-hydroxynaphthalen-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 338
Patents: 201.07898 Da
Monoisotopic Mass: 1.5
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]+	202.08626	141.1
[M+Na]+	224.06820	149.3
[M-H]-	200.07170	144.8
[M+NH4]+	219.11280	160.7
[M+K]+	240.04214	146.0
[M+H-H2O]+	184.07624	135.2
[M+HCOO]-	246.07718	163.8
[M+CH3COO]-	260.09283	185.8
[M+Na-2H]-	222.05365	148.4
[M]+	201.07843	140.6
[M]-	201.07953	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe