CID 124080856

D-apionolactone

Structural Information

Molecular Formula

C₅H₈O₅

SMILES

C1[C@@]([C@H](C(=O)O1)O)(CO)O

InChI

InChI=1S/C5H8O5/c6-1-5(9)2-10-4(8)3(5)7/h3,6-7,9H,1-2H2/t3-,5+/m0/s1

InChIKey

MTSAHRPUAGVYCZ-WVZVXSGGSA-N

Compound name

(3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 148.03717 Da
Monoisotopic Mass: -1.7
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]+	149.04445	124.5
[M+Na]+	171.02639	133.0
[M-H]-	147.02989	125.3
[M+NH4]+	166.07099	146.3
[M+K]+	187.00033	132.8
[M+H-H2O]+	131.03443	121.7
[M+HCOO]-	193.03537	143.9
[M+CH3COO]-	207.05102	163.8
[M+Na-2H]-	169.01184	130.6
[M]+	148.03662	123.5
[M]-	148.03772	123.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.