CID 76871852

Libramycin a

Structural Information

Molecular Formula
C11H20N2O3
SMILES
C[C@@H]1[C@@H](NC(=O)N1)CCCCC(C)C(=O)O
InChI
InChI=1S/C11H20N2O3/c1-7(10(14)15)5-3-4-6-9-8(2)12-11(16)13-9/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/t7?,8-,9+/m1/s1
InChIKey
DSLSWBIYQALLJM-ASODMVGOSA-N
Compound name
2-methyl-6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.1474 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.15468 155.9
[M+Na]+ 251.13662 162.1
[M+NH4]+ 246.18122 160.0
[M+K]+ 267.11056 161.1
[M-H]- 227.14012 152.2
[M+Na-2H]- 249.12207 154.7
[M]+ 228.14685 155.0
[M]- 228.14795 155.0
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

No patent data available for this compound.