CID 6451700

Acetamide, n-(4-(pentyloxy)phenyl)-

Structural Information

Molecular Formula

C₁₃H₁₉NO₂

SMILES

CCCCCOC1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C13H19NO2/c1-3-4-5-10-16-13-8-6-12(7-9-13)14-11(2)15/h6-9H,3-5,10H2,1-2H3,(H,14,15)

InChIKey

LATIFMAZCASOGM-UHFFFAOYSA-N

Compound name

N-(4-pentoxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 221.14159 Da
Monoisotopic Mass: 3.0
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]+	222.14887	151.9
[M+Na]+	244.13081	157.7
[M-H]-	220.13431	155.2
[M+NH4]+	239.17541	170.2
[M+K]+	260.10475	155.7
[M+H-H2O]+	204.13885	145.2
[M+HCOO]-	266.13979	175.9
[M+CH3COO]-	280.15544	192.7
[M+Na-2H]-	242.11626	156.3
[M]+	221.14104	154.4
[M]-	221.14214	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe