CID 6912

Xylitol

Structural Information

Molecular Formula
C5H12O5
SMILES
C([C@H](C([C@H](CO)O)O)O)O
InChI
InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5?
InChIKey
HEBKCHPVOIAQTA-NGQZWQHPSA-N
Compound name
(2S,4R)-pentane-1,2,3,4,5-pentol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

3858
References

149530
Patents

152.06847 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.07575 131.4
[M+Na]+ 175.05769 137.0
[M+NH4]+ 170.10229 135.8
[M+K]+ 191.03163 136.9
[M-H]- 151.06119 126.0
[M+Na-2H]- 173.04314 130.2
[M]+ 152.06792 129.9
[M]- 152.06902 129.9
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