CID 11368610

(9-bromononyl)cyclopropane

Structural Information

Molecular Formula

C₁₂H₂₃Br

SMILES

C1CC1CCCCCCCCCBr

InChI

InChI=1S/C12H23Br/c13-11-7-5-3-1-2-4-6-8-12-9-10-12/h12H,1-11H2

InChIKey

VIRUBKPQHCGVOW-UHFFFAOYSA-N

Compound name

9-bromononylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.09831 Da
Monoisotopic Mass: 6.6
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]+	247.10559	154.7
[M+Na]+	269.08753	165.1
[M-H]-	245.09103	160.8
[M+NH4]+	264.13213	171.5
[M+K]+	285.06147	153.2
[M+H-H2O]+	229.09557	153.5
[M+HCOO]-	291.09651	174.7
[M+CH3COO]-	305.11216	196.5
[M+Na-2H]-	267.07298	160.2
[M]+	246.09776	176.5
[M]-	246.09886	176.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe