CID 99427

Valeranilide, 2,2-dimethyl-3'-hydroxy-

Structural Information

Molecular Formula

C₁₃H₁₉NO₂

SMILES

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

InChI

InChI=1S/C13H19NO2/c1-4-8-13(2,3)12(16)14-10-6-5-7-11(15)9-10/h5-7,9,15H,4,8H2,1-3H3,(H,14,16)

InChIKey

YMPKWMGLBHVDBS-UHFFFAOYSA-N

Compound name

N-(3-hydroxyphenyl)-2,2-dimethylpentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 221.14159 Da
Monoisotopic Mass: 2.8
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	152.1
[M+Na]+	244.130808	157.9
[M-H]-	220.134314	154.3
[M+NH4]+	239.175413	169.7
[M+K]+	260.104748	155.5
[M+H-H2O]+	204.138850	146.3
[M+HCOO]-	266.139791	172.9
[M+CH3COO]-	280.155441	190.5
[M+Na-2H]-	242.116256	156.7
[M]+	221.14104142	152.2
[M]-	221.14213858	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe