CID 13853

1,2-epoxypentane

Structural Information

Molecular Formula

C₅H₁₀O

SMILES

CCCC1CO1

InChI

InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3

InChIKey

SYURNNNQIFDVCA-UHFFFAOYSA-N

Compound name

2-propyloxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 11480
Patents: 86.073166 Da
Monoisotopic Mass: 1.4
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]+	87.080442	115.7
[M+Na]+	109.06238	128.8
[M+NH4]+	104.10699	125.5
[M+K]+	125.03632	124.7
[M-H]-	85.065890	125.4
[M+Na-2H]-	107.04783	124.1
[M]+	86.072617	121.4
[M]-	86.073715	121.4

Literature stripe

literature stripe

Patent stripe

patents stripe