CID 139403

Methoxyallene

Structural Information

Molecular Formula

SMILES

COC=C=C

InChI

InChI=1S/C4H6O/c1-3-4-5-2/h4H,1H2,2H3

InChIKey

RRWJXAJEGRDMQH-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 241
Patents: 70.04186 Da
Monoisotopic Mass: 0.4
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]+	71.049136	110.9
[M+Na]+	93.031078	122.5
[M+NH4]+	88.075683	119.6
[M+K]+	109.00502	116.4
[M-H]-	69.034584	110.7
[M+Na-2H]-	91.016526	116.0
[M]+	70.041311	112.3
[M]-	70.042409	112.3

Literature stripe

literature stripe

Patent stripe

patents stripe