CID 3066063

109461-31-6

Structural Information

Molecular Formula

C₁₂H₁₆BrNO

SMILES

CC1(CN(CCO1)C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H16BrNO/c1-12(9-14(2)7-8-15-12)10-3-5-11(13)6-4-10/h3-6H,7-9H2,1-2H3

InChIKey

OYQNGONOBUSPLZ-UHFFFAOYSA-N

Compound name

2-(4-bromophenyl)-2,4-dimethylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.04153 Da
Monoisotopic Mass: 2.3
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]+	270.048806	152.5
[M+Na]+	292.030748	162.8
[M-H]-	268.034254	160.8
[M+NH4]+	287.075353	172.1
[M+K]+	308.004688	153.3
[M+H-H2O]+	252.038790	152.1
[M+HCOO]-	314.039731	169.2
[M+CH3COO]-	328.055381	193.2
[M+Na-2H]-	290.016196	160.0
[M]+	269.04098142	169.4
[M]-	269.04207858	169.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.