CID 82386020

3-amino-1-(3-bromophenyl)butan-2-ol

Structural Information

Molecular Formula

C₁₀H₁₄BrNO

SMILES

CC(C(CC1=CC(=CC=C1)Br)O)N

InChI

InChI=1S/C10H14BrNO/c1-7(12)10(13)6-8-3-2-4-9(11)5-8/h2-5,7,10,13H,6,12H2,1H3

InChIKey

SEWGHWTYHOOGIV-UHFFFAOYSA-N

Compound name

3-amino-1-(3-bromophenyl)butan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 243.02588 Da
Monoisotopic Mass: 1.7
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]+	244.033156	149.5
[M+Na]+	266.015098	158.5
[M-H]-	242.018604	153.7
[M+NH4]+	261.059703	169.2
[M+K]+	281.989038	147.0
[M+H-H2O]+	226.023140	148.8
[M+HCOO]-	288.024081	168.1
[M+CH3COO]-	302.039731	190.8
[M+Na-2H]-	264.000546	153.3
[M]+	243.02533142	165.1
[M]-	243.02642858	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe