CID 3066063

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

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.04881 152.5
[M+Na]+ 292.03075 162.8
[M-H]- 268.03425 160.8
[M+NH4]+ 287.07535 172.1
[M+K]+ 308.00469 153.3
[M+H-H2O]+ 252.03879 152.1
[M+HCOO]- 314.03973 169.2
[M+CH3COO]- 328.05538 193.2
[M+Na-2H]- 290.01620 160.0
[M]+ 269.04098 169.4
[M]- 269.04208 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.