CID 15027163

(8-bromooctyl)cyclopropane

Structural Information

Molecular Formula

C₁₁H₂₁Br

SMILES

C1CC1CCCCCCCCBr

InChI

InChI=1S/C11H21Br/c12-10-6-4-2-1-3-5-7-11-8-9-11/h11H,1-10H2

InChIKey

GFVBLGLZLGXIQX-UHFFFAOYSA-N

Compound name

8-bromooctylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 232.08266 Da
Monoisotopic Mass: 6.0
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]+	233.08994	150.5
[M+Na]+	255.07188	161.3
[M-H]-	231.07538	156.8
[M+NH4]+	250.11648	167.8
[M+K]+	271.04582	149.6
[M+H-H2O]+	215.07992	149.5
[M+HCOO]-	277.08086	170.8
[M+CH3COO]-	291.09651	193.8
[M+Na-2H]-	253.05733	156.5
[M]+	232.08211	172.0
[M]-	232.08321	172.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe