CID 235757

4-bromo-n,n-dimethylbenzylamine

Structural Information

Molecular Formula
C9H12BrN
SMILES
CN(C)CC1=CC=C(C=C1)Br
InChI
InChI=1S/C9H12BrN/c1-11(2)7-8-3-5-9(10)6-4-8/h3-6H,7H2,1-2H3
InChIKey
RFEDQTSVZVRTGH-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

227
Patents

213.0153 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02258 138.5
[M+Na]+ 236.00452 149.3
[M-H]- 212.00802 146.2
[M+NH4]+ 231.04912 161.3
[M+K]+ 251.97846 139.4
[M+H-H2O]+ 196.01256 138.2
[M+HCOO]- 258.01350 161.9
[M+CH3COO]- 272.02915 190.9
[M+Na-2H]- 233.98997 146.5
[M]+ 213.01475 157.8
[M]- 213.01585 157.8
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