CID 12385715

4-bromo-n,n,3-trimethylaniline

Structural Information

Molecular Formula
C9H12BrN
SMILES
CC1=C(C=CC(=C1)N(C)C)Br
InChI
InChI=1S/C9H12BrN/c1-7-6-8(11(2)3)4-5-9(7)10/h4-6H,1-3H3
InChIKey
DPFVFQHTPIFECX-UHFFFAOYSA-N
Compound name
4-bromo-N,N,3-trimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

213.0153 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02258 137.8
[M+Na]+ 236.00452 149.4
[M-H]- 212.00802 145.8
[M+NH4]+ 231.04912 160.9
[M+K]+ 251.97846 139.5
[M+H-H2O]+ 196.01256 137.5
[M+HCOO]- 258.01350 161.1
[M+CH3COO]- 272.02915 191.9
[M+Na-2H]- 233.98997 145.1
[M]+ 213.01475 157.3
[M]- 213.01585 157.3
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