CID 84793505

3-bromo-6-methoxy-2,5-dimethylaniline

Structural Information

Molecular Formula
C9H12BrNO
SMILES
CC1=CC(=C(C(=C1OC)N)C)Br
InChI
InChI=1S/C9H12BrNO/c1-5-4-7(10)6(2)8(11)9(5)12-3/h4H,11H2,1-3H3
InChIKey
MKBDBSPBLAQGKL-UHFFFAOYSA-N
Compound name
5-bromo-2-methoxy-3,6-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.01022 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.01750 141.5
[M+Na]+ 251.99944 145.4
[M+NH4]+ 247.04404 146.7
[M+K]+ 267.97338 145.3
[M-H]- 228.00294 143.0
[M+Na-2H]- 249.98489 144.8
[M]+ 229.00967 141.3
[M]- 229.01077 141.3
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

No patent data available for this compound.