CID 68704

Ibuproxam

Structural Information

Molecular Formula

C₁₃H₁₉NO₂

SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)NO

InChI

InChI=1S/C13H19NO2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(15)14-16/h4-7,9-10,16H,8H2,1-3H3,(H,14,15)

InChIKey

BYPIURIATSUHDW-UHFFFAOYSA-N

Compound name

N-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 23
References: 5960
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]+	222.14887	153.0
[M+Na]+	244.13081	157.9
[M-H]-	220.13431	155.0
[M+NH4]+	239.17541	170.4
[M+K]+	260.10475	156.0
[M+H-H2O]+	204.13885	146.8
[M+HCOO]-	266.13979	173.4
[M+CH3COO]-	280.15544	192.0
[M+Na-2H]-	242.11626	154.3
[M]+	221.14104	152.3
[M]-	221.14214	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe