CID 161746

Minimycin

Structural Information

Molecular Formula
C9H11NO7
SMILES
C1=C(C(=O)NC(=O)O1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C9H11NO7/c11-1-4-5(12)6(13)7(17-4)3-2-16-9(15)10-8(3)14/h2,4-7,11-13H,1H2,(H,10,14,15)/t4-,5-,6-,7+/m1/s1
InChIKey
REFHNSOTFKKRAI-GBNDHIKLSA-N
Compound name
5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-oxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

59
Patents

245.05356 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06084 147.3
[M+Na]+ 268.04278 156.5
[M-H]- 244.04628 150.0
[M+NH4]+ 263.08738 160.0
[M+K]+ 284.01672 155.4
[M+H-H2O]+ 228.05082 141.6
[M+HCOO]- 290.05176 163.6
[M+CH3COO]- 304.06741 181.4
[M+Na-2H]- 266.02823 150.1
[M]+ 245.05301 147.7
[M]- 245.05411 147.7
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