CID 165751496

2758005-55-7

Structural Information

Molecular Formula

SMILES

CC(C)(C)CC1CC(C1)Br

InChI

InChI=1S/C9H17Br/c1-9(2,3)6-7-4-8(10)5-7/h7-8H,4-6H2,1-3H3

InChIKey

DFBVGUQBQDPACC-UHFFFAOYSA-N

Compound name

1-bromo-3-(2,2-dimethylpropyl)cyclobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	134.6
[M+Na]+	227.04058	144.2
[M-H]-	203.04408	140.8
[M+NH4]+	222.08518	151.8
[M+K]+	243.01452	137.0
[M+H-H2O]+	187.04862	131.5
[M+HCOO]-	249.04956	152.3
[M+CH3COO]-	263.06521	188.7
[M+Na-2H]-	225.02603	141.4
[M]+	204.05081	160.0
[M]-	204.05191	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.