CID 42813

Brn 2100366

Structural Information

Molecular Formula

C₁₁H₁₄BrNO₂

SMILES

CC1=CC(=CC(=C1O)C(=O)NC(C)C)Br

InChI

InChI=1S/C11H14BrNO2/c1-6(2)13-11(15)9-5-8(12)4-7(3)10(9)14/h4-6,14H,1-3H3,(H,13,15)

InChIKey

GAWAJYQYGZLYDZ-UHFFFAOYSA-N

Compound name

5-bromo-2-hydroxy-3-methyl-N-propan-2-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.02078 Da
Monoisotopic Mass: 4.0
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]+	272.028056	152.9
[M+Na]+	294.009998	163.4
[M-H]-	270.013504	158.2
[M+NH4]+	289.054603	172.3
[M+K]+	309.983938	152.1
[M+H-H2O]+	254.018040	152.2
[M+HCOO]-	316.018981	172.2
[M+CH3COO]-	330.034631	197.0
[M+Na-2H]-	291.995446	156.1
[M]+	271.02023142	171.1
[M]-	271.02132858	171.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.