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]+ 246.012416 144.2
[M+Na]+ 267.994358 156.1
[M-H]- 243.997864 150.4
[M+NH4]+ 263.038963 165.2
[M+K]+ 283.968298 145.4
[M+H-H2O]+ 228.002400 143.5
[M+HCOO]- 290.003341 166.7
[M+CH3COO]- 304.018991 192.9
[M+Na-2H]- 265.979806 150.3
[M]+ 245.00459142 164.5
[M]- 245.00568858 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.