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	143.8
[M+Na]+	294.01000	152.3
[M-H]-	270.01350	152.6
[M+NH4]+	289.05460	157.7
[M+K]+	309.98394	146.0
[M+H-H2O]+	254.01804	138.7
[M+HCOO]-	316.01898	163.4
[M+CH3COO]-	330.03463	197.0
[M+Na-2H]-	291.99545	152.3
[M]+	271.02023	170.1
[M]-	271.02133	170.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe