CID 178200109

2-(2-cyclopropylethyl)-2-methyloxirane

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

CC1(CO1)CCC2CC2

InChI

InChI=1S/C8H14O/c1-8(6-9-8)5-4-7-2-3-7/h7H,2-6H2,1H3

InChIKey

XUAGYAGPLNTFAZ-UHFFFAOYSA-N

Compound name

2-(2-cyclopropylethyl)-2-methyloxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 126.10446 Da
Monoisotopic Mass: 1.9
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]+	127.111736	138.2
[M+Na]+	149.093678	145.9
[M-H]-	125.097184	146.4
[M+NH4]+	144.138283	149.4
[M+K]+	165.067618	148.0
[M+H-H2O]+	109.101720	133.0
[M+HCOO]-	171.102661	157.4
[M+CH3COO]-	185.118311	186.0
[M+Na-2H]-	147.079126	144.6
[M]+	126.10391142	143.5
[M]-	126.10500858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.