CID 130850

3-methoxypropylgluconamide

Structural Information

Molecular Formula

C₁₀H₂₁NO₇

SMILES

COCCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

InChI

InChI=1S/C10H21NO7/c1-18-4-2-3-11-10(17)9(16)8(15)7(14)6(13)5-12/h6-9,12-16H,2-5H2,1H3,(H,11,17)/t6-,7-,8+,9-/m1/s1

InChIKey

QIGYCAMGTSQFGJ-LURQLKTLSA-N

Compound name

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-methoxypropyl)hexanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 310
Patents: 267.1318 Da
Monoisotopic Mass: -3.4
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]+	268.139076	161.6
[M+Na]+	290.121018	162.7
[M-H]-	266.124524	154.0
[M+NH4]+	285.165623	173.4
[M+K]+	306.094958	163.0
[M+H-H2O]+	250.129060	155.6
[M+HCOO]-	312.130001	174.3
[M+CH3COO]-	326.145651	190.1
[M+Na-2H]-	288.106466	158.0
[M]+	267.13125142	160.0
[M]-	267.13234858	160.0

Literature stripe

literature stripe

Patent stripe

patents stripe