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 148.4
[M+Na]+ 306.01000 156.4
[M-H]- 282.01350 156.9
[M+NH4]+ 301.05460 161.4
[M+K]+ 321.98394 149.1
[M+H-H2O]+ 266.01804 142.0
[M+HCOO]- 328.01898 168.2
[M+CH3COO]- 342.03463 201.2
[M+Na-2H]- 303.99545 153.5
[M]+ 283.02023 173.8
[M]- 283.02133 173.8
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.