CID 83704746

3-bromo-5-[(methylamino)methyl]phenol

Structural Information

Molecular Formula

C₈H₁₀BrNO

SMILES

CNCC1=CC(=CC(=C1)Br)O

InChI

InChI=1S/C8H10BrNO/c1-10-5-6-2-7(9)4-8(11)3-6/h2-4,10-11H,5H2,1H3

InChIKey

KEMGMUUENMCZRC-UHFFFAOYSA-N

Compound name

3-bromo-5-(methylaminomethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.99458 Da
Monoisotopic Mass: 1.6
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]+	216.001856	137.3
[M+Na]+	237.983798	148.6
[M-H]-	213.987304	142.6
[M+NH4]+	233.028403	158.9
[M+K]+	253.957738	137.0
[M+H-H2O]+	197.991840	137.2
[M+HCOO]-	259.992781	159.2
[M+CH3COO]-	274.008431	185.2
[M+Na-2H]-	235.969246	145.2
[M]+	214.99403142	154.8
[M]-	214.99512858	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.