CID 545268

Oxirane, (2,2-dimethylpropyl)-

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: 306
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]+	115.11174	124.1
[M+Na]+	137.09368	133.5
[M-H]-	113.09718	129.8
[M+NH4]+	132.13828	141.3
[M+K]+	153.06762	134.0
[M+H-H2O]+	97.101720	119.0
[M+HCOO]-	159.10266	145.8
[M+CH3COO]-	173.11831	174.0
[M+Na-2H]-	135.07913	133.1
[M]+	114.10391	128.5
[M]-	114.10501	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe