CID 216287

Ibrotamide

Structural Information

Molecular Formula

C₇H₁₄BrNO

SMILES

CCC(C(C)C)(C(=O)N)Br

InChI

InChI=1S/C7H14BrNO/c1-4-7(8,5(2)3)6(9)10/h5H,4H2,1-3H3,(H2,9,10)

InChIKey

YQZUCYWIGWXZQO-UHFFFAOYSA-N

Compound name

2-bromo-2-ethyl-3-methylbutanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 213
Patents: 207.02588 Da
Monoisotopic Mass: 2.0
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]+	208.033156	141.9
[M+Na]+	230.015098	151.4
[M-H]-	206.018604	144.4
[M+NH4]+	225.059703	163.7
[M+K]+	245.989038	141.3
[M+H-H2O]+	190.023140	142.1
[M+HCOO]-	252.024081	160.1
[M+CH3COO]-	266.039731	187.6
[M+Na-2H]-	228.000546	146.5
[M]+	207.02533142	158.8
[M]-	207.02642858	158.8

Literature stripe

literature stripe

Patent stripe

patents stripe