CID 79016387

1-(3-bromophenyl)-2-methoxyethan-1-amine

Structural Information

Molecular Formula
C9H12BrNO
SMILES
COCC(C1=CC(=CC=C1)Br)N
InChI
InChI=1S/C9H12BrNO/c1-12-6-9(11)7-3-2-4-8(10)5-7/h2-5,9H,6,11H2,1H3
InChIKey
OXIKOZKITYOZAS-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-2-methoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

229.01022 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.01750 143.3
[M+Na]+ 251.99944 153.4
[M-H]- 228.00294 149.0
[M+NH4]+ 247.04404 164.4
[M+K]+ 267.97338 142.7
[M+H-H2O]+ 212.00748 142.7
[M+HCOO]- 274.00842 164.7
[M+CH3COO]- 288.02407 189.5
[M+Na-2H]- 249.98489 149.5
[M]+ 229.00967 161.0
[M]- 229.01077 161.0
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