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 151.1
[M+Na]+ 261.09448 156.1
[M-H]- 237.09798 148.5
[M+NH4]+ 256.13908 164.3
[M+K]+ 277.06842 155.8
[M+H-H2O]+ 221.10252 146.0
[M+HCOO]- 283.10346 163.1
[M+CH3COO]- 297.11911 181.6
[M+Na-2H]- 259.07993 151.2
[M]+ 238.10471 149.3
[M]- 238.10581 149.3
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