CID 18618148

Nonulosonate

Structural Information

Molecular Formula
C9H18O9
SMILES
C(C(C(C1C(C(C(C(O1)(CO)O)O)O)O)O)O)O
InChI
InChI=1S/C9H18O9/c10-1-3(12)4(13)7-5(14)6(15)8(16)9(17,2-11)18-7/h3-8,10-17H,1-2H2
InChIKey
USEZWDIVUDJKCA-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

270.0951 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10238 156.9
[M+Na]+ 293.08432 160.8
[M-H]- 269.08782 150.3
[M+NH4]+ 288.12892 168.2
[M+K]+ 309.05826 160.6
[M+H-H2O]+ 253.09236 153.2
[M+HCOO]- 315.09330 163.5
[M+CH3COO]- 329.10895 181.7
[M+Na-2H]- 291.06977 156.2
[M]+ 270.09455 152.6
[M]- 270.09565 152.6
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