CID 11085294

153373-83-2

Structural Information

Molecular Formula
C8H13NO6
SMILES
CC(=O)N[C@@H](C=O)[C@H]([C@@H](C(=O)CO)O)O
InChI
InChI=1S/C8H13NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5,7-8,11,14-15H,3H2,1H3,(H,9,12)/t5-,7+,8+/m0/s1
InChIKey
DQGPHTHBCBFFDM-UIISKDMLSA-N
Compound name
N-[(2R,3R,4S)-3,4,6-trihydroxy-1,5-dioxohexan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

219.07428 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.08156 147.7
[M+Na]+ 242.06350 151.5
[M+NH4]+ 237.10810 150.1
[M+K]+ 258.03744 152.5
[M-H]- 218.06700 141.8
[M+Na-2H]- 240.04895 145.2
[M]+ 219.07373 145.5
[M]- 219.07483 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe