CID 151009

6-o-methylglucose

Structural Information

Molecular Formula

C₇H₁₄O₆

SMILES

COC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O

InChI

InChI=1S/C7H14O6/c1-13-3-5(10)7(12)6(11)4(9)2-8/h2,4-7,9-12H,3H2,1H3/t4-,5+,6+,7+/m0/s1

InChIKey

GFHNQKKLOLZRQE-BDVNFPICSA-N

Compound name

(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-methoxyhexanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 344
Patents: 194.07904 Da
Monoisotopic Mass: -2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	195.08632	142.0
[M+Na]+	217.06826	146.1
[M-H]-	193.07176	136.4
[M+NH4]+	212.11286	158.1
[M+K]+	233.04220	146.4
[M+H-H2O]+	177.07630	137.3
[M+HCOO]-	239.07724	157.0
[M+CH3COO]-	253.09289	175.2
[M+Na-2H]-	215.05371	141.4
[M]+	194.07849	141.4
[M]-	194.07959	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe