CID 200187

881-83-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

29
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

literature stripe

Patent stripe

patents stripe