CID 81982

2-c-methyl-d-ribonic acid

Structural Information

Molecular Formula
C6H12O6
SMILES
C[C@@]([C@@H]([C@@H](CO)O)O)(C(=O)O)O
InChI
InChI=1S/C6H12O6/c1-6(12,5(10)11)4(9)3(8)2-7/h3-4,7-9,12H,2H2,1H3,(H,10,11)/t3-,4-,6-/m1/s1
InChIKey
RJVPHXILZGIYQT-ZMIZWQJLSA-N
Compound name
(2R,3R,4R)-2,3,4,5-tetrahydroxy-2-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

180.06339 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.070666 137.0
[M+Na]+ 203.052608 141.7
[M-H]- 179.056114 130.4
[M+NH4]+ 198.097213 153.0
[M+K]+ 219.026548 141.4
[M+H-H2O]+ 163.060650 133.3
[M+HCOO]- 225.061591 150.2
[M+CH3COO]- 239.077241 169.3
[M+Na-2H]- 201.038056 138.6
[M]+ 180.06284142 134.3
[M]- 180.06393858 134.3
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