CID 38710

5-bromo-n-butyl-2-hydroxy-3-methylbenzamide

Structural Information

Molecular Formula

C₁₂H₁₆BrNO₂

SMILES

CCCCNC(=O)C1=C(C(=CC(=C1)Br)C)O

InChI

InChI=1S/C12H16BrNO2/c1-3-4-5-14-12(16)10-7-9(13)6-8(2)11(10)15/h6-7,15H,3-5H2,1-2H3,(H,14,16)

InChIKey

OXERTUUKTZDQPG-UHFFFAOYSA-N

Compound name

5-bromo-N-butyl-2-hydroxy-3-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 285.03644 Da
Monoisotopic Mass: 4.4
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]+	286.043716	157.2
[M+Na]+	308.025658	167.5
[M-H]-	284.029164	162.1
[M+NH4]+	303.070263	176.1
[M+K]+	323.999598	155.4
[M+H-H2O]+	268.033700	156.2
[M+HCOO]-	330.034641	177.1
[M+CH3COO]-	344.050291	199.0
[M+Na-2H]-	306.011106	161.0
[M]+	285.03589142	176.3
[M]-	285.03698858	176.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.