CID 61556543

5-bromo-2-[(oxolan-3-yl)methoxy]aniline

Structural Information

Molecular Formula

C₁₁H₁₄BrNO₂

SMILES

C1COCC1COC2=C(C=C(C=C2)Br)N

InChI

InChI=1S/C11H14BrNO2/c12-9-1-2-11(10(13)5-9)15-7-8-3-4-14-6-8/h1-2,5,8H,3-4,6-7,13H2

InChIKey

DMIKMNVFLVMOGW-UHFFFAOYSA-N

Compound name

5-bromo-2-(oxolan-3-ylmethoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.02078 Da
Monoisotopic Mass: 2.1
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	156.3
[M+Na]+	294.009998	166.0
[M-H]-	270.013504	165.3
[M+NH4]+	289.054603	176.1
[M+K]+	309.983938	156.1
[M+H-H2O]+	254.018040	155.5
[M+HCOO]-	316.018981	176.9
[M+CH3COO]-	330.034631	193.8
[M+Na-2H]-	291.995446	160.9
[M]+	271.02023142	173.4
[M]-	271.02132858	173.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.