CID 303614

2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal

Structural Information

Molecular Formula
C12H22O11
SMILES
C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C=O)O)O)O)O)O)O
InChI
InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h1,4-12,14-21H,2-3H2
InChIKey
DKXNBNKWCZZMJT-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

17386
References

9830
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 171.4
[M+Na]+ 365.10542 172.2
[M-H]- 341.10892 164.0
[M+NH4]+ 360.15002 177.2
[M+K]+ 381.07936 173.5
[M+H-H2O]+ 325.11346 165.4
[M+HCOO]- 387.11440 175.8
[M+CH3COO]- 401.13005 197.9
[M+Na-2H]- 363.09087 165.9
[M]+ 342.11565 168.5
[M]- 342.11675 168.5
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