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
2
Annotation Hits

1
References

282
Patents

267.1318 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13908 160.9
[M+Na]+ 290.12102 162.6
[M+NH4]+ 285.16562 162.2
[M+K]+ 306.09496 164.5
[M-H]- 266.12452 153.8
[M+Na-2H]- 288.10647 156.4
[M]+ 267.13125 158.0
[M]- 267.13235 158.0
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