CID 12303780

L-colitose

Structural Information

Molecular Formula
C6H12O4
SMILES
C[C@H]1[C@H](C[C@@H](C(O1)O)O)O
InChI
InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6?/m0/s1
InChIKey
KYPWIZMAJMNPMJ-NNXAEHONSA-N
Compound name
(3S,5S,6S)-6-methyloxane-2,3,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

80
Patents

148.07356 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08084 128.2
[M+Na]+ 171.06278 137.9
[M+NH4]+ 166.10738 135.2
[M+K]+ 187.03672 135.1
[M-H]- 147.06628 129.0
[M+Na-2H]- 169.04823 130.2
[M]+ 148.07301 129.4
[M]- 148.07411 129.4
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