CID 890211

1-(3-bromophenyl)-3-(dimethylamino)propan-1-one

Structural Information

Molecular Formula
C11H14BrNO
SMILES
CN(C)CCC(=O)C1=CC(=CC=C1)Br
InChI
InChI=1S/C11H14BrNO/c1-13(2)7-6-11(14)9-4-3-5-10(12)8-9/h3-5,8H,6-7H2,1-2H3
InChIKey
CWQXTHKQDGGMNN-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-3-(dimethylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

255.02588 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03316 149.8
[M+Na]+ 278.01510 159.6
[M-H]- 254.01860 157.1
[M+NH4]+ 273.05970 170.7
[M+K]+ 293.98904 149.5
[M+H-H2O]+ 238.02314 148.8
[M+HCOO]- 300.02408 171.9
[M+CH3COO]- 314.03973 198.3
[M+Na-2H]- 276.00055 155.4
[M]+ 255.02533 169.7
[M]- 255.02643 169.7
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

patents stripe