CID 104501

1,4-anhydro-d-xylitol

Structural Information

Molecular Formula
C5H10O4
SMILES
C1[C@@H]([C@H]([C@H](O1)CO)O)O
InChI
InChI=1S/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2/t3-,4+,5+/m0/s1
InChIKey
KZVAAIRBJJYZOW-VPENINKCSA-N
Compound name
(2R,3R,4S)-2-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

430
References

27205
Patents

134.0579 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06518 124.6
[M+Na]+ 157.04712 131.9
[M-H]- 133.05062 125.0
[M+NH4]+ 152.09172 145.1
[M+K]+ 173.02106 131.7
[M+H-H2O]+ 117.05516 120.7
[M+HCOO]- 179.05610 143.6
[M+CH3COO]- 193.07175 162.8
[M+Na-2H]- 155.03257 129.0
[M]+ 134.05735 122.4
[M]- 134.05845 122.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe