CID 290575

2-bromo-3,4,6-trimethylaniline

Structural Information

Molecular Formula
C9H12BrN
SMILES
CC1=CC(=C(C(=C1C)Br)N)C
InChI
InChI=1S/C9H12BrN/c1-5-4-6(2)9(11)8(10)7(5)3/h4H,11H2,1-3H3
InChIKey
UMIDFBDPMOPWDY-UHFFFAOYSA-N
Compound name
2-bromo-3,4,6-trimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

213.0153 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02258 138.0
[M+Na]+ 236.00452 151.1
[M-H]- 212.00802 144.8
[M+NH4]+ 231.04912 160.7
[M+K]+ 251.97846 139.5
[M+H-H2O]+ 196.01256 138.2
[M+HCOO]- 258.01350 160.1
[M+CH3COO]- 272.02915 190.1
[M+Na-2H]- 233.98997 143.6
[M]+ 213.01475 156.0
[M]- 213.01585 156.0
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

patents stripe