CID 73215065

Hexa(?1-2)6-deoxy-hex

Structural Information

Molecular Formula
C12H20O11
SMILES
CC1C(C(C(C(O1)O)OC2C(C(C(C(O2)C(=O)O)O)O)O)O)O
InChI
InChI=1S/C12H20O11/c1-2-3(13)5(15)9(11(20)21-2)23-12-7(17)4(14)6(16)8(22-12)10(18)19/h2-9,11-17,20H,1H3,(H,18,19)
InChIKey
SILSJWQOMSRYIY-UHFFFAOYSA-N
Compound name
3,4,5-trihydroxy-6-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.10056 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10784 172.5
[M+Na]+ 363.08978 176.3
[M-H]- 339.09328 171.3
[M+NH4]+ 358.13438 178.6
[M+K]+ 379.06372 177.8
[M+H-H2O]+ 323.09782 166.4
[M+HCOO]- 385.09876 177.2
[M+CH3COO]- 399.11441 201.1
[M+Na-2H]- 361.07523 169.2
[M]+ 340.10001 169.5
[M]- 340.10111 169.5
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.