CID 38709

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

Structural Information

Molecular Formula

C₁₀H₁₂BrNO₂

SMILES

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

InChI

InChI=1S/C10H12BrNO2/c1-3-12-10(14)8-5-7(11)4-6(2)9(8)13/h4-5,13H,3H2,1-2H3,(H,12,14)

InChIKey

YPWPVPLDLYIPNI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 257.00513 Da
Monoisotopic Mass: 3.5
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]+	258.012406	147.9
[M+Na]+	279.994348	159.1
[M-H]-	255.997854	153.3
[M+NH4]+	275.038953	168.0
[M+K]+	295.968288	147.5
[M+H-H2O]+	240.002390	147.4
[M+HCOO]-	302.003331	168.5
[M+CH3COO]-	316.018981	193.3
[M+Na-2H]-	277.979796	152.8
[M]+	257.00458142	166.4
[M]-	257.00567858	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe