CID 21225084

(x)-1,2-propanediol 1-o-b-d-glucopyranoside

Structural Information

Molecular Formula
C9H18O7
SMILES
CC(COC1C(C(C(C(O1)CO)O)O)O)O
InChI
InChI=1S/C9H18O7/c1-4(11)3-15-9-8(14)7(13)6(12)5(2-10)16-9/h4-14H,2-3H2,1H3
InChIKey
AJLVEHFNMNRXNI-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-(2-hydroxypropoxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

238.10526 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11254 150.8
[M+Na]+ 261.09448 157.3
[M+NH4]+ 256.13908 154.6
[M+K]+ 277.06842 157.1
[M-H]- 237.09798 148.6
[M+Na-2H]- 259.07993 148.8
[M]+ 238.10471 150.4
[M]- 238.10581 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe