CID 10464455

Methyl 5-hydroxy-4-oxopentanoate

Structural Information

Molecular Formula

C₆H₁₀O₄

SMILES

COC(=O)CCC(=O)CO

InChI

InChI=1S/C6H10O4/c1-10-6(9)3-2-5(8)4-7/h7H,2-4H2,1H3

InChIKey

RKMQRPYLPSKVNS-UHFFFAOYSA-N

Compound name

methyl 5-hydroxy-4-oxopentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 13
Patents: 146.0579 Da
Monoisotopic Mass: -0.8
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]+	147.06518	129.7
[M+Na]+	169.04712	138.3
[M+NH4]+	164.09172	135.7
[M+K]+	185.02106	135.2
[M-H]-	145.05062	126.8
[M+Na-2H]-	167.03257	131.4
[M]+	146.05735	129.6
[M]-	146.05845	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe