CID 154288528

(7-bromoheptyl)cyclopropane

Structural Information

Molecular Formula

C₁₀H₁₉Br

SMILES

C1CC1CCCCCCCBr

InChI

InChI=1S/C10H19Br/c11-9-5-3-1-2-4-6-10-7-8-10/h10H,1-9H2

InChIKey

MIGNBLBJMHJREG-UHFFFAOYSA-N

Compound name

7-bromoheptylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.06702 Da
Monoisotopic Mass: 5.5
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]+	219.074296	146.2
[M+Na]+	241.056238	157.4
[M-H]-	217.059744	152.8
[M+NH4]+	236.100843	164.0
[M+K]+	257.030178	146.0
[M+H-H2O]+	201.064280	145.4
[M+HCOO]-	263.065221	166.9
[M+CH3COO]-	277.080871	191.1
[M+Na-2H]-	239.041686	152.8
[M]+	218.06647142	167.4
[M]-	218.06756858	167.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe