CID 209973

Propiophenone, 5'-bromo-2'-(2-(dimethylamino)ethoxy)-, hydrochloride

Structural Information

Molecular Formula
C13H18BrNO2
SMILES
CCC(=O)C1=C(C=CC(=C1)Br)OCCN(C)C
InChI
InChI=1S/C13H18BrNO2/c1-4-12(16)11-9-10(14)5-6-13(11)17-8-7-15(2)3/h5-6,9H,4,7-8H2,1-3H3
InChIKey
ZZEIJMDXPJOQCT-UHFFFAOYSA-N
Compound name
1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.0521 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.05938 161.0
[M+Na]+ 322.04132 170.7
[M-H]- 298.04482 168.2
[M+NH4]+ 317.08592 180.5
[M+K]+ 338.01526 160.7
[M+H-H2O]+ 282.04936 159.5
[M+HCOO]- 344.05030 182.6
[M+CH3COO]- 358.06595 206.8
[M+Na-2H]- 320.02677 164.9
[M]+ 299.05155 183.3
[M]- 299.05265 183.3
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.