CID 10751802

2-(4-bromophenyl)-n,n-dimethylethanamine

Structural Information

Molecular Formula
C10H14BrN
SMILES
CN(C)CCC1=CC=C(C=C1)Br
InChI
InChI=1S/C10H14BrN/c1-12(2)8-7-9-3-5-10(11)6-4-9/h3-6H,7-8H2,1-2H3
InChIKey
RWCMKTSVOYKLQY-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

98
Patents

227.03096 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.03824 141.6
[M+Na]+ 250.02018 145.1
[M+NH4]+ 245.06478 147.4
[M+K]+ 265.99412 144.1
[M-H]- 226.02368 143.8
[M+Na-2H]- 248.00563 146.3
[M]+ 227.03041 141.6
[M]- 227.03151 141.6
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