CID 7139497

(3-bromo-4,5-dimethoxyphenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C9H12BrNO2
SMILES
COC1=C(C(=CC(=C1)CN)Br)OC
InChI
InChI=1S/C9H12BrNO2/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-4H,5,11H2,1-2H3
InChIKey
IWPOENYBAHVPRG-UHFFFAOYSA-N
Compound name
(3-bromo-4,5-dimethoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 145.4
[M+Na]+ 267.99436 148.4
[M+NH4]+ 263.03896 149.9
[M+K]+ 283.96830 148.5
[M-H]- 243.99786 146.3
[M+Na-2H]- 265.97981 148.3
[M]+ 245.00459 144.8
[M]- 245.00569 144.8
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