CID 102355282

N-(4-bromophenyl)-n-methylcyclopropanecarboxamide

Structural Information

Molecular Formula

C₁₁H₁₂BrNO

SMILES

CN(C1=CC=C(C=C1)Br)C(=O)C2CC2

InChI

InChI=1S/C11H12BrNO/c1-13(11(14)8-2-3-8)10-6-4-9(12)5-7-10/h4-8H,2-3H2,1H3

InChIKey

AHKNOTPDXDAPPF-UHFFFAOYSA-N

Compound name

N-(4-bromophenyl)-N-methylcyclopropanecarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.01022 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	254.017496	147.8
[M+Na]+	275.999438	159.6
[M-H]-	252.002944	158.9
[M+NH4]+	271.044043	164.3
[M+K]+	291.973378	149.0
[M+H-H2O]+	236.007480	146.4
[M+HCOO]-	298.008421	170.6
[M+CH3COO]-	312.024071	198.8
[M+Na-2H]-	273.984886	154.0
[M]+	253.00967142	168.0
[M]-	253.01076858	168.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.