CID 41576

3'-hydroxyhexananilide

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CCCCCC(=O)NC1=CC(=CC=C1)O

InChI

InChI=1S/C12H17NO2/c1-2-3-4-8-12(15)13-10-6-5-7-11(14)9-10/h5-7,9,14H,2-4,8H2,1H3,(H,13,15)

InChIKey

RCZJWCZIRXWIOU-UHFFFAOYSA-N

Compound name

N-(3-hydroxyphenyl)hexanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 207.12593 Da
Monoisotopic Mass: 2.9
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]+	208.13321	147.8
[M+Na]+	230.11515	153.6
[M-H]-	206.11865	149.8
[M+NH4]+	225.15975	165.9
[M+K]+	246.08909	150.9
[M+H-H2O]+	190.12319	141.5
[M+HCOO]-	252.12413	170.5
[M+CH3COO]-	266.13978	187.1
[M+Na-2H]-	228.10060	152.2
[M]+	207.12538	148.0
[M]-	207.12648	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe