CID 545268

2-(2,2-dimethylpropyl)oxirane

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

CC(C)(C)CC1CO1

InChI

InChI=1S/C7H14O/c1-7(2,3)4-6-5-8-6/h6H,4-5H2,1-3H3

InChIKey

JFNMDOCPBNQNQR-UHFFFAOYSA-N

Compound name

2-(2,2-dimethylpropyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 313
Patents: 114.10446 Da
Monoisotopic Mass: 2.0
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]+	115.111736	124.1
[M+Na]+	137.093678	133.5
[M-H]-	113.097184	129.8
[M+NH4]+	132.138283	141.3
[M+K]+	153.067618	134.0
[M+H-H2O]+	97.101720	119.0
[M+HCOO]-	159.102661	145.8
[M+CH3COO]-	173.118311	174.0
[M+Na-2H]-	135.079126	133.1
[M]+	114.10391142	128.5
[M]-	114.10500858	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe