PubChemLite - D-xylopyranose (C5H10O5)

Structural Information

Molecular Formula

C₅H₁₀O₅

SMILES

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

InChI

InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5?/m1/s1

InChIKey

SRBFZHDQGSBBOR-IOVATXLUSA-N

Compound name

(3R,4S,5R)-oxane-2,3,4,5-tetrol

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]+	151.06011	127.8
[M+Na]+	173.04205	134.7
[M-H]-	149.04555	127.0
[M+NH4]+	168.08665	145.3
[M+K]+	189.01599	134.3
[M+H-H2O]+	133.05009	123.6
[M+HCOO]-	195.05103	143.4
[M+CH3COO]-	209.06668	164.5
[M+Na-2H]-	171.02750	132.2
[M]+	150.05228	123.6
[M]-	150.05338	123.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

151.06011

127.8

[M+Na]+

173.04205

134.7

[M-H]-

149.04555

127.0

[M+NH4]+

168.08665

145.3

[M+K]+

189.01599

134.3

[M+H-H2O]+

133.05009

123.6

[M+HCOO]-

195.05103

143.4

[M+CH3COO]-

209.06668

164.5

[M+Na-2H]-

171.02750

132.2

[M]+

150.05228

123.6

[M]-

150.05338

123.6

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

D-xylopyranose

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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