CID 175396

Malioxamycin

Structural Information

Molecular Formula
C9H16N2O6
SMILES
CC(C)[C@@H](C(=O)NO[C@H](CC(=O)O)C(=O)O)N
InChI
InChI=1S/C9H16N2O6/c1-4(2)7(10)8(14)11-17-5(9(15)16)3-6(12)13/h4-5,7H,3,10H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)/t5-,7+/m1/s1
InChIKey
KXQRAPMNPUXYGT-VDTYLAMSSA-N
Compound name
(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]oxybutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

248.10083 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10811 155.2
[M+Na]+ 271.09005 157.4
[M+NH4]+ 266.13465 157.0
[M+K]+ 287.06399 159.3
[M-H]- 247.09355 149.6
[M+Na-2H]- 269.07550 151.9
[M]+ 248.10028 152.8
[M]- 248.10138 152.8
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