CID 392391

Nsc692755

Structural Information

Molecular Formula

C₁₃H₁₉NO₂

SMILES

CCCCCCC1=CC=C(C=C1)C(=O)NO

InChI

InChI=1S/C13H19NO2/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(15)14-16/h7-10,16H,2-6H2,1H3,(H,14,15)

InChIKey

XKWHBVHIODBAFB-UHFFFAOYSA-N

Compound name

4-hexyl-N-hydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.14159 Da
Monoisotopic Mass: 3.7
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]+	222.148866	152.4
[M+Na]+	244.130808	157.7
[M-H]-	220.134314	154.2
[M+NH4]+	239.175413	169.9
[M+K]+	260.104748	154.8
[M+H-H2O]+	204.138850	145.9
[M+HCOO]-	266.139791	174.8
[M+CH3COO]-	280.155441	190.2
[M+Na-2H]-	242.116256	156.2
[M]+	221.14104142	152.9
[M]-	221.14213858	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe