CID 242517

.alpha.-l-mannopyranoside, methyl 6-deoxy-

Structural Information

Molecular Formula

C₇H₁₄O₅

SMILES

CC1C(C(C(C(O1)OC)O)O)O

InChI

InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3

InChIKey

OHWCAVRRXKJCRB-UHFFFAOYSA-N

Compound name

2-methoxy-6-methyloxane-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 359
Patents: 178.08412 Da
Monoisotopic Mass: -1.6
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]+	179.09140	135.7
[M+Na]+	201.07334	143.0
[M-H]-	177.07684	136.3
[M+NH4]+	196.11794	153.1
[M+K]+	217.04728	143.2
[M+H-H2O]+	161.08138	131.2
[M+HCOO]-	223.08232	152.1
[M+CH3COO]-	237.09797	174.2
[M+Na-2H]-	199.05879	138.9
[M]+	178.08357	134.5
[M]-	178.08467	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe