CID 67076295

2901044-14-0

Structural Information

Molecular Formula

C₁₀H₁₂BrNO

SMILES

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

InChI

InChI=1S/C10H12BrNO/c11-8-3-1-7(2-4-8)10(13)5-9(12)6-10/h1-4,9,13H,5-6,12H2

InChIKey

AQBVVEJCISFNIA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 241.01022 Da
Monoisotopic Mass: 1.2
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]+	242.017496	139.2
[M+Na]+	263.999438	148.7
[M-H]-	240.002944	146.8
[M+NH4]+	259.044043	155.1
[M+K]+	279.973378	140.2
[M+H-H2O]+	224.007480	134.9
[M+HCOO]-	286.008421	158.4
[M+CH3COO]-	300.024071	191.2
[M+Na-2H]-	261.984886	146.1
[M]+	241.00967142	162.0
[M]-	241.01076858	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe