CID 50986246

2,4-didehydro-3-deoxy-l-rhamnonate

Structural Information

Molecular Formula

C₆H₈O₅

SMILES

C[C@@H](C(=O)CC(=O)C(=O)O)O

InChI

InChI=1S/C6H8O5/c1-3(7)4(8)2-5(9)6(10)11/h3,7H,2H2,1H3,(H,10,11)/t3-/m0/s1

InChIKey

CQZFXXYDOLONCO-VKHMYHEASA-N

Compound name

(5S)-5-hydroxy-2,4-dioxohexanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2
Patents: 160.03717 Da
Monoisotopic Mass: -0.7
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]+	161.044446	130.1
[M+Na]+	183.026388	136.3
[M-H]-	159.029894	127.8
[M+NH4]+	178.070993	149.0
[M+K]+	199.000328	136.8
[M+H-H2O]+	143.034430	125.8
[M+HCOO]-	205.035371	148.7
[M+CH3COO]-	219.051021	173.0
[M+Na-2H]-	181.011836	131.3
[M]+	160.03662142	130.2
[M]-	160.03771858	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe