CID 85754635

{[3-(bromomethyl)phenyl]methyl}dimethylamine hydrobromide

Structural Information

Molecular Formula
C10H14BrN
SMILES
CN(C)CC1=CC(=CC=C1)CBr
InChI
InChI=1S/C10H14BrN/c1-12(2)8-10-5-3-4-9(6-10)7-11/h3-6H,7-8H2,1-2H3
InChIKey
LGWOCJPJKYQGAM-UHFFFAOYSA-N
Compound name
1-[3-(bromomethyl)phenyl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.03096 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.038236 143.3
[M+Na]+ 250.020178 153.6
[M-H]- 226.023684 150.7
[M+NH4]+ 245.064783 165.5
[M+K]+ 265.994118 143.5
[M+H-H2O]+ 210.028220 142.6
[M+HCOO]- 272.029161 166.3
[M+CH3COO]- 286.044811 193.7
[M+Na-2H]- 248.005626 150.6
[M]+ 227.03041142 162.8
[M]- 227.03150858 162.8
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.