CID 3079167

2-(4-bromophenyl)-4-methyl-2-propoxymorpholine hydrochloride

Structural Information

Molecular Formula
C14H20BrNO2
SMILES
CCCOC1(CN(CCO1)C)C2=CC=C(C=C2)Br
InChI
InChI=1S/C14H20BrNO2/c1-3-9-17-14(11-16(2)8-10-18-14)12-4-6-13(15)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKey
RLYRCAHXLXXODS-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-4-methyl-2-propoxymorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.06775 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.07503 164.4
[M+Na]+ 336.05697 173.6
[M-H]- 312.06047 172.2
[M+NH4]+ 331.10157 182.2
[M+K]+ 352.03091 164.3
[M+H-H2O]+ 296.06501 163.4
[M+HCOO]- 358.06595 180.5
[M+CH3COO]- 372.08160 200.7
[M+Na-2H]- 334.04242 170.9
[M]+ 313.06720 183.2
[M]- 313.06830 183.2
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.