CID 98155

3814-55-9

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

CC(C)COCC1CO1

InChI

InChI=1S/C7H14O2/c1-6(2)3-8-4-7-5-9-7/h6-7H,3-5H2,1-2H3

InChIKey

AQKDMKKMCVJJTC-UHFFFAOYSA-N

Compound name

2-(2-methylpropoxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2478
Patents: 130.09938 Da
Monoisotopic Mass: 1.1
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]+	131.10666	127.5
[M+Na]+	153.08860	139.5
[M+NH4]+	148.13320	136.4
[M+K]+	169.06254	136.2
[M-H]-	129.09210	136.4
[M+Na-2H]-	151.07405	134.6
[M]+	130.09883	132.7
[M]-	130.09993	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe