CID 130139852

1-(4-bromo-2,6-dimethoxyphenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C9H12BrNO2
SMILES
COC1=CC(=CC(=C1CN)OC)Br
InChI
InChI=1S/C9H12BrNO2/c1-12-8-3-6(10)4-9(13-2)7(8)5-11/h3-4H,5,11H2,1-2H3
InChIKey
WQVZDOGNUNPCGN-UHFFFAOYSA-N
Compound name
(4-bromo-2,6-dimethoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.00514 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.01242 144.2
[M+Na]+ 267.99436 156.1
[M-H]- 243.99786 150.4
[M+NH4]+ 263.03896 165.2
[M+K]+ 283.96830 145.4
[M+H-H2O]+ 228.00240 143.5
[M+HCOO]- 290.00334 166.7
[M+CH3COO]- 304.01899 192.9
[M+Na-2H]- 265.97981 150.3
[M]+ 245.00459 164.5
[M]- 245.00569 164.5
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.