CID 11194

Allyl ether

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

C=CCOCC=C

InChI

InChI=1S/C6H10O/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2

InChIKey

ATVJXMYDOSMEPO-UHFFFAOYSA-N

Compound name

3-prop-2-enoxyprop-1-ene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 43
References: 141636
Patents: 98.073166 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]+	99.080442	118.2
[M+Na]+	121.06238	126.1
[M-H]-	97.065890	118.7
[M+NH4]+	116.10699	141.8
[M+K]+	137.03632	125.3
[M+H-H2O]+	81.070426	114.2
[M+HCOO]-	143.07137	142.7
[M+CH3COO]-	157.08702	167.4
[M+Na-2H]-	119.04783	125.6
[M]+	98.072617	119.7
[M]-	98.073715	119.7

Literature stripe

literature stripe

Patent stripe

patents stripe