CID 11194640

1-butene, 2-(bromomethyl)-3,3-dimethyl-

Structural Information

Molecular Formula

SMILES

CC(C)(C)C(=C)CBr

InChI

InChI=1S/C7H13Br/c1-6(5-8)7(2,3)4/h1,5H2,2-4H3

InChIKey

GFKPUBMTEHCQIW-UHFFFAOYSA-N

Compound name

2-(bromomethyl)-3,3-dimethylbut-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 176.02007 Da
Monoisotopic Mass: 3.6
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]+	177.02735	132.2
[M+Na]+	199.00929	134.0
[M+NH4]+	194.05389	137.1
[M+K]+	214.98323	134.6
[M-H]-	175.01279	130.6
[M+Na-2H]-	196.99474	133.7
[M]+	176.01952	130.8
[M]-	176.02062	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe