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

22
Patents

255.02588 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.033156 149.8
[M+Na]+ 278.015098 159.6
[M-H]- 254.018604 157.1
[M+NH4]+ 273.059703 170.7
[M+K]+ 293.989038 149.5
[M+H-H2O]+ 238.023140 148.8
[M+HCOO]- 300.024081 171.9
[M+CH3COO]- 314.039731 198.3
[M+Na-2H]- 276.000546 155.4
[M]+ 255.02533142 169.7
[M]- 255.02642858 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