CID 170917802

(1s,3s)-3-(aminomethyl)-1-(4-bromophenyl)cyclobutan-1-ol

Structural Information

Molecular Formula

C₁₁H₁₄BrNO

SMILES

C1C(CC1(C2=CC=C(C=C2)Br)O)CN

InChI

InChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)11(14)5-8(6-11)7-13/h1-4,8,14H,5-7,13H2

InChIKey

BFDWBDFCUHODFG-UHFFFAOYSA-N

Compound name

3-(aminomethyl)-1-(4-bromophenyl)cyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.02588 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]+	256.033156	143.7
[M+Na]+	278.015098	152.9
[M-H]-	254.018604	151.1
[M+NH4]+	273.059703	159.1
[M+K]+	293.989038	144.1
[M+H-H2O]+	238.023140	139.2
[M+HCOO]-	300.024081	162.6
[M+CH3COO]-	314.039731	193.9
[M+Na-2H]-	276.000546	150.1
[M]+	255.02533142	166.8
[M]-	255.02642858	166.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.