CID 15036

1,2-epoxyhexane

Structural Information

Molecular Formula

C₆H₁₂O

SMILES

CCCCC1CO1

InChI

InChI=1S/C6H12O/c1-2-3-4-6-5-7-6/h6H,2-5H2,1H3

InChIKey

WHNBDXQTMPYBAT-UHFFFAOYSA-N

Compound name

2-butyloxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 16
References: 15279
Patents: 100.08881 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]+	101.09609	120.4
[M+Na]+	123.07803	129.7
[M-H]-	99.081534	125.9
[M+NH4]+	118.12263	137.8
[M+K]+	139.05197	130.0
[M+H-H2O]+	83.086070	114.6
[M+HCOO]-	145.08701	143.8
[M+CH3COO]-	159.10266	171.4
[M+Na-2H]-	121.06348	129.2
[M]+	100.08826	124.8
[M]-	100.08936	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe