CID 169586

2-o-methylfucose

Structural Information

Molecular Formula
C7H14O5
SMILES
C[C@@H]([C@H]([C@H]([C@@H](C=O)OC)O)O)O
InChI
InChI=1S/C7H14O5/c1-4(9)6(10)7(11)5(3-8)12-2/h3-7,9-11H,1-2H3/t4-,5+,6+,7-/m0/s1
InChIKey
VCUILRLOJMHSMR-WNJXEPBRSA-N
Compound name
(2S,3R,4R,5S)-3,4,5-trihydroxy-2-methoxyhexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

53
Patents

178.08412 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.09140 139.0
[M+Na]+ 201.07334 143.8
[M-H]- 177.07684 135.0
[M+NH4]+ 196.11794 156.6
[M+K]+ 217.04728 144.3
[M+H-H2O]+ 161.08138 134.5
[M+HCOO]- 223.08232 155.3
[M+CH3COO]- 237.09797 175.3
[M+Na-2H]- 199.05879 138.9
[M]+ 178.08357 138.9
[M]- 178.08467 138.9
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