CID 169553230

Glcspb

Structural Information

Molecular Formula
C9H19NO7
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H](CO)N)O)O)O)O
InChI
InChI=1S/C9H19NO7/c10-4(1-11)3-16-9-8(15)7(14)6(13)5(2-12)17-9/h4-9,11-15H,1-3,10H2/t4-,5-,6-,7+,8-,9-/m1/s1
InChIKey
VJZPOFJSVQVBFR-VMQOHUEUSA-N
Compound name
(2R,3R,4S,5S,6R)-2-[(2R)-2-amino-3-hydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.11615 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.12343 155.4
[M+Na]+ 276.10537 159.3
[M-H]- 252.10887 152.1
[M+NH4]+ 271.14997 167.2
[M+K]+ 292.07931 158.8
[M+H-H2O]+ 236.11341 149.5
[M+HCOO]- 298.11435 167.6
[M+CH3COO]- 312.13000 186.9
[M+Na-2H]- 274.09082 154.6
[M]+ 253.11560 151.7
[M]- 253.11670 151.7
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

No patent data available for this compound.