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 158.6
[M+Na]+ 308.02566 167.2
[M-H]- 284.02916 164.4
[M+NH4]+ 303.07026 177.5
[M+K]+ 323.99960 156.9
[M+H-H2O]+ 268.03370 157.3
[M+HCOO]- 330.03464 178.1
[M+CH3COO]- 344.05029 200.7
[M+Na-2H]- 306.01111 161.9
[M]+ 285.03589 177.7
[M]- 285.03699 177.7
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.