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 140.9
[M+Na]+ 251.99944 153.9
[M-H]- 228.00294 147.6
[M+NH4]+ 247.04404 163.0
[M+K]+ 267.97338 142.8
[M+H-H2O]+ 212.00748 140.8
[M+HCOO]- 274.00842 163.2
[M+CH3COO]- 288.02407 192.1
[M+Na-2H]- 249.98489 146.4
[M]+ 229.00967 160.3
[M]- 229.01077 160.3
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.