CID 44123487

Schembl2565347

Structural Information

Molecular Formula
C10H18N2O5
SMILES
C[C@H]1[C@@H]([C@@H]([C@H](C(O1)O)NC(=O)C)O)NC(=O)C
InChI
InChI=1S/C10H18N2O5/c1-4-7(11-5(2)13)9(15)8(10(16)17-4)12-6(3)14/h4,7-10,15-16H,1-3H3,(H,11,13)(H,12,14)/t4-,7-,8+,9-,10?/m0/s1
InChIKey
NRXWTRNYICXMBF-RSMLHNCESA-N
Compound name
N-[(2S,3R,4S,5R)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

37
Patents

246.12157 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.12885 155.9
[M+Na]+ 269.11079 162.1
[M+NH4]+ 264.15539 160.1
[M+K]+ 285.08473 160.9
[M-H]- 245.11429 156.0
[M+Na-2H]- 267.09624 155.1
[M]+ 246.12102 156.1
[M]- 246.12212 156.1
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