CID 28581156

4-bromo-n-(2-methoxyethyl)aniline hydrochloride

Structural Information

Molecular Formula
C9H12BrNO
SMILES
COCCNC1=CC=C(C=C1)Br
InChI
InChI=1S/C9H12BrNO/c1-12-7-6-11-9-4-2-8(10)3-5-9/h2-5,11H,6-7H2,1H3
InChIKey
JNZWFPSPQBHLAV-UHFFFAOYSA-N
Compound name
4-bromo-N-(2-methoxyethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

229.01022 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.017496 141.4
[M+Na]+ 251.999438 151.9
[M-H]- 228.002944 147.5
[M+NH4]+ 247.044043 162.9
[M+K]+ 267.973378 141.0
[M+H-H2O]+ 212.007480 140.8
[M+HCOO]- 274.008421 164.4
[M+CH3COO]- 288.024071 189.4
[M+Na-2H]- 249.984886 149.9
[M]+ 229.00967142 160.8
[M]- 229.01076858 160.8
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

No patent data available for this compound.