CID 54097069

Rha(a1-3)glca

Structural Information

Molecular Formula
C12H20O11
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)O)C(=O)O)O)O)O)O
InChI
InChI=1S/C12H20O11/c1-2-3(13)4(14)5(15)12(21-2)23-8-6(16)9(10(18)19)22-11(20)7(8)17/h2-9,11-17,20H,1H3,(H,18,19)/t2-,3-,4+,5+,6-,7+,8-,9-,11+,12-/m0/s1
InChIKey
MXWFYQSKMPNNOC-WSZYUBSFSA-N
Compound name
(2S,3S,4S,5R,6R)-3,5,6-trihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-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 172.1
[M+Na]+ 363.08978 176.7
[M+NH4]+ 358.13438 172.9
[M+K]+ 379.06372 180.0
[M-H]- 339.09328 170.4
[M+Na-2H]- 361.07523 166.7
[M]+ 340.10001 171.3
[M]- 340.10111 171.3
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.