CID 71309709

2-deoxy-d-arabinohexose-1-13c

Structural Information

Molecular Formula
C6H12O5
SMILES
C1[C@H]([C@@H]([C@H](O[13CH]1O)CO)O)O
InChI
InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5?,6+/m1/s1/i5+1
InChIKey
PMMURAAUARKVCB-UPKQYVFDSA-N
Compound name
(4R,5S,6R)-6-(hydroxymethyl)(213C)oxane-2,4,5-triol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

28
References

13396
Patents

165.07182 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.079096 132.6
[M+Na]+ 188.061038 139.0
[M-H]- 164.064544 131.6
[M+NH4]+ 183.105643 149.5
[M+K]+ 204.034978 138.4
[M+H-H2O]+ 148.069080 128.2
[M+HCOO]- 210.070021 147.8
[M+CH3COO]- 224.085671 167.5
[M+Na-2H]- 186.046486 136.4
[M]+ 165.07127142 128.8
[M]- 165.07236858 128.8
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.