CID 139026364

2-(bromomethyl)-5-methyloxane

Structural Information

Molecular Formula

SMILES

CC1CCC(OC1)CBr

InChI

InChI=1S/C7H13BrO/c1-6-2-3-7(4-8)9-5-6/h6-7H,2-5H2,1H3

InChIKey

VGEWYVDHXNRLFR-UHFFFAOYSA-N

Compound name

2-(bromomethyl)-5-methyloxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 192.01498 Da
Monoisotopic Mass: 2.2
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]+	193.02226	136.0
[M+Na]+	215.00420	145.4
[M-H]-	191.00770	142.3
[M+NH4]+	210.04880	157.9
[M+K]+	230.97814	137.0
[M+H-H2O]+	175.01224	136.8
[M+HCOO]-	237.01318	153.9
[M+CH3COO]-	251.02883	180.2
[M+Na-2H]-	212.98965	143.4
[M]+	192.01443	152.0
[M]-	192.01553	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.