CID 4414641

2-bromo-n-(4-methoxyphenyl)-3-methylbutanamide

Structural Information

Molecular Formula
C12H16BrNO2
SMILES
CC(C)C(C(=O)NC1=CC=C(C=C1)OC)Br
InChI
InChI=1S/C12H16BrNO2/c1-8(2)11(13)12(15)14-9-4-6-10(16-3)7-5-9/h4-8,11H,1-3H3,(H,14,15)
InChIKey
FHXCLDHAFSJZIZ-UHFFFAOYSA-N
Compound name
2-bromo-N-(4-methoxyphenyl)-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

285.03644 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.04372 154.3
[M+Na]+ 308.02566 155.6
[M+NH4]+ 303.07026 158.1
[M+K]+ 323.99960 156.8
[M-H]- 284.02916 154.4
[M+Na-2H]- 306.01111 156.5
[M]+ 285.03589 153.2
[M]- 285.03699 153.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.