CID 91820433

Methylglutaconyl hydroxy ornithine

Structural Information

Molecular Formula
C11H18N2O6
SMILES
C/C(=C\C(=O)N(CCCC(C(=O)O)N)O)/CC(=O)O
InChI
InChI=1S/C11H18N2O6/c1-7(6-10(15)16)5-9(14)13(19)4-2-3-8(12)11(17)18/h5,8,19H,2-4,6,12H2,1H3,(H,15,16)(H,17,18)/b7-5+
InChIKey
WKYDRCQCQXZNIH-FNORWQNLSA-N
Compound name
(E)-5-[(4-amino-4-carboxybutyl)-hydroxyamino]-3-methyl-5-oxopent-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

274.1165 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.12378 163.1
[M+Na]+ 297.10572 165.1
[M-H]- 273.10922 159.4
[M+NH4]+ 292.15032 176.1
[M+K]+ 313.07966 165.6
[M+H-H2O]+ 257.11376 156.7
[M+HCOO]- 319.11470 179.9
[M+CH3COO]- 333.13035 200.2
[M+Na-2H]- 295.09117 158.6
[M]+ 274.11595 161.5
[M]- 274.11705 161.5
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.