CID 92024

2-methoxyneuraminic acid

Structural Information

Molecular Formula

C₁₀H₁₉NO₈

SMILES

COCC1C(CC(C(O1)(C(C(C(=O)O)O)O)N)O)O

InChI

InChI=1S/C10H19NO8/c1-18-3-5-4(12)2-6(13)10(11,19-5)8(15)7(14)9(16)17/h4-8,12-15H,2-3,11H2,1H3,(H,16,17)

InChIKey

IYHGZZNJIUXINO-UHFFFAOYSA-N

Compound name

3-[2-amino-3,5-dihydroxy-6-(methoxymethyl)oxan-2-yl]-2,3-dihydroxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 281.11105 Da
Monoisotopic Mass: -4.9
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]+	282.118326	160.3
[M+Na]+	304.100268	163.5
[M-H]-	280.103774	156.8
[M+NH4]+	299.144873	172.4
[M+K]+	320.074208	164.5
[M+H-H2O]+	264.108310	155.7
[M+HCOO]-	326.109251	170.6
[M+CH3COO]-	340.124901	192.0
[M+Na-2H]-	302.085716	159.2
[M]+	281.11050142	156.6
[M]-	281.11159858	156.6

Literature stripe

literature stripe

Patent stripe

patents stripe