CID 43244716

2-bromo-n-cycloheptyl-3-methylbutanamide

Structural Information

Molecular Formula

C₁₂H₂₂BrNO

SMILES

CC(C)C(C(=O)NC1CCCCCC1)Br

InChI

InChI=1S/C12H22BrNO/c1-9(2)11(13)12(15)14-10-7-5-3-4-6-8-10/h9-11H,3-8H2,1-2H3,(H,14,15)

InChIKey

NYFYBLMROGEUIQ-UHFFFAOYSA-N

Compound name

2-bromo-N-cycloheptyl-3-methylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 275.08847 Da
Monoisotopic Mass: 4.0
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]+	276.095746	155.3
[M+Na]+	298.077688	158.7
[M-H]-	274.081194	160.7
[M+NH4]+	293.122293	172.9
[M+K]+	314.051628	153.3
[M+H-H2O]+	258.085730	154.6
[M+HCOO]-	320.086671	170.1
[M+CH3COO]-	334.102321	199.7
[M+Na-2H]-	296.063136	156.5
[M]+	275.08792142	164.9
[M]-	275.08901858	164.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.