CID 10751802

[2-(4-bromophenyl)ethyl]dimethylamine

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

99
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 143.3
[M+Na]+ 250.02018 153.6
[M-H]- 226.02368 150.7
[M+NH4]+ 245.06478 165.5
[M+K]+ 265.99412 143.5
[M+H-H2O]+ 210.02822 142.6
[M+HCOO]- 272.02916 166.3
[M+CH3COO]- 286.04481 193.7
[M+Na-2H]- 248.00563 150.6
[M]+ 227.03041 162.8
[M]- 227.03151 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

literature stripe

Patent stripe

patents stripe