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 147.0
[M+Na]+ 242.06350 150.6
[M-H]- 218.06700 142.8
[M+NH4]+ 237.10810 162.2
[M+K]+ 258.03744 151.0
[M+H-H2O]+ 202.07154 141.6
[M+HCOO]- 264.07248 163.6
[M+CH3COO]- 278.08813 184.5
[M+Na-2H]- 240.04895 145.4
[M]+ 219.07373 145.6
[M]- 219.07483 145.6
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