CID 5743484

Butoxyoxirane

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

CCCCOC1CO1

InChI

InChI=1S/C6H12O2/c1-2-3-4-7-6-5-8-6/h6H,2-5H2,1H3

InChIKey

OZLNNOCQVCYYJA-UHFFFAOYSA-N

Compound name

2-butoxyoxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 107
Patents: 116.08373 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]+	117.091006	124.2
[M+Na]+	139.072948	133.4
[M-H]-	115.076454	129.6
[M+NH4]+	134.117553	140.9
[M+K]+	155.046888	134.0
[M+H-H2O]+	99.080990	118.2
[M+HCOO]-	161.081931	147.7
[M+CH3COO]-	175.097581	173.3
[M+Na-2H]-	137.058396	132.9
[M]+	116.08318142	130.1
[M]-	116.08427858	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe