CID 68672710

1084953-24-1

Structural Information

Molecular Formula

C₁₁H₁₄BrNO₂

SMILES

C1C(CO1)(CN)COC2=CC=C(C=C2)Br

InChI

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

InChIKey

KDYUHYKXXIHXQG-UHFFFAOYSA-N

Compound name

[3-[(4-bromophenoxy)methyl]oxetan-3-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 271.02078 Da
Monoisotopic Mass: 1.4
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]+	272.02806	152.6
[M+Na]+	294.01000	151.5
[M+NH4]+	289.05460	155.2
[M+K]+	309.98394	151.6
[M-H]-	270.01350	153.4
[M+Na-2H]-	291.99545	155.1
[M]+	271.02023	150.7
[M]-	271.02133	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe