CID 71369590

66299-88-5

Structural Information

Molecular Formula

SMILES

CC1(CCOCC1)Br

InChI

InChI=1S/C6H11BrO/c1-6(7)2-4-8-5-3-6/h2-5H2,1H3

InChIKey

QWCMUULWVOAVEJ-UHFFFAOYSA-N

Compound name

4-bromo-4-methyloxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 177.99933 Da
Monoisotopic Mass: 1.6
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]+	179.006606	129.9
[M+Na]+	200.988548	139.7
[M-H]-	176.992054	136.5
[M+NH4]+	196.033153	154.0
[M+K]+	216.962488	131.8
[M+H-H2O]+	160.996590	131.7
[M+HCOO]-	222.997531	148.2
[M+CH3COO]-	237.013181	176.0
[M+Na-2H]-	198.973996	139.7
[M]+	177.99878142	145.7
[M]-	177.99987858	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe