CID 12128963

[(2-bromo-5-methoxyphenyl)methyl](methyl)aminehydrochloride

Structural Information

Molecular Formula
C9H12BrNO
SMILES
CNCC1=C(C=CC(=C1)OC)Br
InChI
InChI=1S/C9H12BrNO/c1-11-6-7-5-8(12-2)3-4-9(7)10/h3-5,11H,6H2,1-2H3
InChIKey
BVRXKKMRPQJYBV-UHFFFAOYSA-N
Compound name
1-(2-bromo-5-methoxyphenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.01022 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.01750 141.0
[M+Na]+ 251.99944 152.3
[M-H]- 228.00294 147.5
[M+NH4]+ 247.04404 162.8
[M+K]+ 267.97338 141.5
[M+H-H2O]+ 212.00748 140.6
[M+HCOO]- 274.00842 164.0
[M+CH3COO]- 288.02407 190.5
[M+Na-2H]- 249.98489 148.9
[M]+ 229.00967 160.7
[M]- 229.01077 160.7
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.