CID 24691712

2-bromo-n-cyclopentyl-3-methylbutanamide

Structural Information

Molecular Formula

C₁₀H₁₈BrNO

SMILES

CC(C)C(C(=O)NC1CCCC1)Br

InChI

InChI=1S/C10H18BrNO/c1-7(2)9(11)10(13)12-8-5-3-4-6-8/h7-9H,3-6H2,1-2H3,(H,12,13)

InChIKey

WJGPMEBCUHKVLX-UHFFFAOYSA-N

Compound name

2-bromo-N-cyclopentyl-3-methylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 247.05717 Da
Monoisotopic Mass: 3.0
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]+	248.064446	157.9
[M+Na]+	270.046388	164.8
[M-H]-	246.049894	163.0
[M+NH4]+	265.090993	179.6
[M+K]+	286.020328	154.9
[M+H-H2O]+	230.054430	157.1
[M+HCOO]-	292.055371	175.7
[M+CH3COO]-	306.071021	192.9
[M+Na-2H]-	268.031836	158.5
[M]+	247.05662142	172.3
[M]-	247.05771858	172.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.