CID 54675775

Dehydro-d-arabinono-1,4-lactone

Structural Information

Molecular Formula

C₅H₆O₅

SMILES

C([C@@H]1C(=C(C(=O)O1)O)O)O

InChI

InChI=1S/C5H6O5/c6-1-2-3(7)4(8)5(9)10-2/h2,6-8H,1H2/t2-/m1/s1

InChIKey

ZZZCUOFIHGPKAK-UWTATZPHSA-N

Compound name

(2R)-3,4-dihydroxy-2-(hydroxymethyl)-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 99
Patents: 146.02153 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]+	147.02881	123.2
[M+Na]+	169.01075	132.6
[M-H]-	145.01425	124.4
[M+NH4]+	164.05535	143.4
[M+K]+	184.98469	132.2
[M+H-H2O]+	129.01879	119.5
[M+HCOO]-	191.01973	144.1
[M+CH3COO]-	205.03538	165.1
[M+Na-2H]-	166.99620	128.1
[M]+	146.02098	123.6
[M]-	146.02208	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe