CID 84287

Ns00086798

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CC(=C(C)O)C(=O)C

InChI

InChI=1S/C6H10O2/c1-4(5(2)7)6(3)8/h7H,1-3H3

InChIKey

ZBCJFUZOIPBJEF-UHFFFAOYSA-N

Compound name

4-hydroxy-3-methylpent-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 114.06808 Da
Monoisotopic Mass: 1.1
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]+	115.075356	123.0
[M+Na]+	137.057298	129.9
[M-H]-	113.060804	122.3
[M+NH4]+	132.101903	145.0
[M+K]+	153.031238	129.8
[M+H-H2O]+	97.065340	119.2
[M+HCOO]-	159.066281	143.2
[M+CH3COO]-	173.081931	168.5
[M+Na-2H]-	135.042746	125.9
[M]+	114.06753142	121.8
[M]-	114.06862858	121.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe