CID 27384

15560-64-2

Structural Information

Molecular Formula

C₁₂H₁₆BrNO₃

SMILES

CCCCOC1=C(C=C(C=C1)CC(=O)NO)Br

InChI

InChI=1S/C12H16BrNO3/c1-2-3-6-17-11-5-4-9(7-10(11)13)8-12(15)14-16/h4-5,7,16H,2-3,6,8H2,1H3,(H,14,15)

InChIKey

LOKRZPSRQFVRBE-UHFFFAOYSA-N

Compound name

2-(3-bromo-4-butoxyphenyl)-N-hydroxyacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 301.03137 Da
Monoisotopic Mass: 2.6
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]+	302.03865	160.0
[M+Na]+	324.02059	169.3
[M-H]-	300.02409	164.6
[M+NH4]+	319.06519	178.0
[M+K]+	339.99453	157.8
[M+H-H2O]+	284.02863	158.6
[M+HCOO]-	346.02957	180.1
[M+CH3COO]-	360.04522	199.8
[M+Na-2H]-	322.00604	164.5
[M]+	301.03082	180.2
[M]-	301.03192	180.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe