CID 54557779

2-(3-bromo-2-methoxyphenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H12BrNO
SMILES
COC1=C(C=CC=C1Br)CCN
InChI
InChI=1S/C9H12BrNO/c1-12-9-7(5-6-11)3-2-4-8(9)10/h2-4H,5-6,11H2,1H3
InChIKey
ZOJHYIXSOOOLQU-UHFFFAOYSA-N
Compound name
2-(3-bromo-2-methoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.01022 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.01750 142.0
[M+Na]+ 251.99944 153.3
[M-H]- 228.00294 147.9
[M+NH4]+ 247.04404 163.5
[M+K]+ 267.97338 142.1
[M+H-H2O]+ 212.00748 141.5
[M+HCOO]- 274.00842 164.4
[M+CH3COO]- 288.02407 189.8
[M+Na-2H]- 249.98489 148.8
[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.