CID 203838

Mutaaspergillic acid

Structural Information

Molecular Formula
C11H18N2O3
SMILES
CC(C)CC1=NC=C(N(C1=O)O)C(C)(C)O
InChI
InChI=1S/C11H18N2O3/c1-7(2)5-8-10(14)13(16)9(6-12-8)11(3,4)15/h6-7,15-16H,5H2,1-4H3
InChIKey
LLLBVGMYOBFXHJ-UHFFFAOYSA-N
Compound name
1-hydroxy-6-(2-hydroxypropan-2-yl)-3-(2-methylpropyl)pyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.13174 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.13902 151.5
[M+Na]+ 249.12096 162.6
[M+NH4]+ 244.16556 156.6
[M+K]+ 265.09490 159.3
[M-H]- 225.12446 149.6
[M+Na-2H]- 247.10641 155.0
[M]+ 226.13119 152.3
[M]- 226.13229 152.3
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

No patent data available for this compound.