CID 32777

2-methyl-1-penten-3-one

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

CCC(=O)C(=C)C

InChI

InChI=1S/C6H10O/c1-4-6(7)5(2)3/h2,4H2,1,3H3

InChIKey

GHHGVSCQWPVENX-UHFFFAOYSA-N

Compound name

2-methylpent-1-en-3-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 795
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	120.3
[M+Na]+	121.06238	130.9
[M+NH4]+	116.10699	128.4
[M+K]+	137.03632	125.9
[M-H]-	97.065890	119.7
[M+Na-2H]-	119.04783	124.1
[M]+	98.072617	121.4
[M]-	98.073715	121.4

Literature stripe

literature stripe

Patent stripe

patents stripe