CID 12438317

4-bromo-2-[(morpholin-4-yl)methyl]phenol

Structural Information

Molecular Formula

C₁₁H₁₄BrNO₂

SMILES

C1COCCN1CC2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C11H14BrNO2/c12-10-1-2-11(14)9(7-10)8-13-3-5-15-6-4-13/h1-2,7,14H,3-6,8H2

InChIKey

JBUKGAGQXRBQIW-UHFFFAOYSA-N

Compound name

4-bromo-2-(morpholin-4-ylmethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.02078 Da
Monoisotopic Mass: 1.5
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]+	272.028056	153.7
[M+Na]+	294.009998	162.8
[M-H]-	270.013504	160.3
[M+NH4]+	289.054603	170.4
[M+K]+	309.983938	152.8
[M+H-H2O]+	254.018040	152.7
[M+HCOO]-	316.018981	169.3
[M+CH3COO]-	330.034631	190.4
[M+Na-2H]-	291.995446	160.1
[M]+	271.02023142	169.3
[M]-	271.02132858	169.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.