CID 242530

3-o-hexopyranosylhex-2-ulopyranose

Structural Information

Molecular Formula
C12H22O11
SMILES
C1C(C(C(C(O1)(CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O
InChI
InChI=1S/C12H22O11/c13-1-5-7(17)8(18)9(19)11(22-5)23-10-6(16)4(15)2-21-12(10,20)3-14/h4-11,13-20H,1-3H2
InChIKey
SEWFWJUQVJHATO-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7086
Patents

342.1162 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12348 173.6
[M+Na]+ 365.10542 177.1
[M-H]- 341.10892 170.8
[M+NH4]+ 360.15002 180.8
[M+K]+ 381.07936 178.1
[M+H-H2O]+ 325.11346 168.4
[M+HCOO]- 387.11440 177.5
[M+CH3COO]- 401.13005 196.8
[M+Na-2H]- 363.09087 173.3
[M]+ 342.11565 170.3
[M]- 342.11675 170.3
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