CID 152922

Mannonic amide

Structural Information

Molecular Formula
C6H13NO6
SMILES
C([C@H]([C@H]([C@@H]([C@@H](C(=O)N)O)O)O)O)O
InChI
InChI=1S/C6H13NO6/c7-6(13)5(12)4(11)3(10)2(9)1-8/h2-5,8-12H,1H2,(H2,7,13)/t2-,3-,4+,5+/m1/s1
InChIKey
JCZPMGDSEAFWDY-MBMOQRBOSA-N
Compound name
(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

617
Patents

195.07428 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.08156 142.2
[M+Na]+ 218.06350 145.1
[M-H]- 194.06700 134.9
[M+NH4]+ 213.10810 156.6
[M+K]+ 234.03744 145.3
[M+H-H2O]+ 178.07154 137.2
[M+HCOO]- 240.07248 155.3
[M+CH3COO]- 254.08813 176.2
[M+Na-2H]- 216.04895 139.3
[M]+ 195.07373 136.7
[M]- 195.07483 136.7
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