CID 47317646

N-(5-bromo-2-methoxyphenyl)cyclobutanecarboxamide

Structural Information

Molecular Formula
C12H14BrNO2
SMILES
COC1=C(C=C(C=C1)Br)NC(=O)C2CCC2
InChI
InChI=1S/C12H14BrNO2/c1-16-11-6-5-9(13)7-10(11)14-12(15)8-3-2-4-8/h5-8H,2-4H2,1H3,(H,14,15)
InChIKey
MJIZBNPQJHXRQJ-UHFFFAOYSA-N
Compound name
N-(5-bromo-2-methoxyphenyl)cyclobutanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.02078 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.02806 154.8
[M+Na]+ 306.01000 153.4
[M+NH4]+ 301.05460 155.9
[M+K]+ 321.98394 155.0
[M-H]- 282.01350 154.3
[M+Na-2H]- 303.99545 156.1
[M]+ 283.02023 152.2
[M]- 283.02133 152.2
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.