CID 63358128

(1-bromohexyl)cyclopropane

Structural Information

Molecular Formula

SMILES

CCCCCC(C1CC1)Br

InChI

InChI=1S/C9H17Br/c1-2-3-4-5-9(10)8-6-7-8/h8-9H,2-7H2,1H3

InChIKey

VXBZBFPNAOCQBY-UHFFFAOYSA-N

Compound name

1-bromohexylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 204.05136 Da
Monoisotopic Mass: 4.1
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]+	205.05864	142.2
[M+Na]+	227.04058	153.5
[M-H]-	203.04408	149.0
[M+NH4]+	222.08518	160.5
[M+K]+	243.01452	142.6
[M+H-H2O]+	187.04862	141.6
[M+HCOO]-	249.04956	162.2
[M+CH3COO]-	263.06521	189.1
[M+Na-2H]-	225.02603	148.1
[M]+	204.05081	162.5
[M]-	204.05191	162.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe