CID 25310

6-deoxy-l-mannopyranose

Structural Information

Molecular Formula
C6H12O5
SMILES
C[C@H]1[C@@H]([C@H]([C@H](C(O1)O)O)O)O
InChI
InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6?/m0/s1
InChIKey
SHZGCJCMOBCMKK-JFNONXLTSA-N
Compound name
(3R,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

7963
References

130730
Patents

164.06847 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.075746 132.2
[M+Na]+ 187.057688 139.6
[M-H]- 163.061194 131.6
[M+NH4]+ 182.102293 149.4
[M+K]+ 203.031628 139.0
[M+H-H2O]+ 147.065730 128.1
[M+HCOO]- 209.066671 147.4
[M+CH3COO]- 223.082321 168.9
[M+Na-2H]- 185.043136 135.4
[M]+ 164.06792142 128.8
[M]- 164.06901858 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

literature stripe

Patent stripe

patents stripe