PubChemLite - D-arabinonic acid (C5H10O6)

Structural Information

Molecular Formula

C₅H₁₀O₆

SMILES

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

InChI

InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3-,4+/m1/s1

InChIKey

QXKAIJAYHKCRRA-JJYYJPOSSA-N

Compound name

(2S,3R,4R)-2,3,4,5-tetrahydroxypentanoic acid

Related CIDs

2D Structure

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]+	167.05502	133.7
[M+Na]+	189.03696	138.2
[M-H]-	165.04046	127.0
[M+NH4]+	184.08156	150.0
[M+K]+	205.01090	138.1
[M+H-H2O]+	149.04500	129.4
[M+HCOO]-	211.04594	147.7
[M+CH3COO]-	225.06159	167.0
[M+Na-2H]-	187.02241	133.4
[M]+	166.04719	130.3
[M]-	166.04829	130.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

167.05502

133.7

[M+Na]+

189.03696

138.2

[M-H]-

165.04046

127.0

[M+NH4]+

184.08156

150.0

[M+K]+

205.01090

138.1

[M+H-H2O]+

149.04500

129.4

[M+HCOO]-

211.04594

147.7

[M+CH3COO]-

225.06159

167.0

[M+Na-2H]-

187.02241

133.4

[M]+

166.04719

130.3

[M]-

166.04829

130.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

D-arabinonic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe