CID 94281

(2s,3s,4s,5r)-2,3,4,5-tetrahydroxy-6-oxohexanamide

Structural Information

Molecular Formula
C6H11NO6
SMILES
C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)N)O)O)O)O
InChI
InChI=1S/C6H11NO6/c7-6(13)5(12)4(11)3(10)2(9)1-8/h1-5,9-12H,(H2,7,13)/t2-,3+,4-,5-/m0/s1
InChIKey
JRIOKBXQMHEJOZ-QTBDOELSSA-N
Compound name
(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

551
Patents

193.05864 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.06592 140.3
[M+Na]+ 216.04786 143.9
[M-H]- 192.05136 134.4
[M+NH4]+ 211.09246 155.4
[M+K]+ 232.02180 144.2
[M+H-H2O]+ 176.05590 135.2
[M+HCOO]- 238.05684 155.1
[M+CH3COO]- 252.07249 177.4
[M+Na-2H]- 214.03331 137.9
[M]+ 193.05809 136.0
[M]- 193.05919 136.0
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