CID 101326872

Fusarinine

Structural Information

Molecular Formula
C11H20N2O5
SMILES
C/C(=C/C(=O)N(CCC[C@@H](C(=O)O)N)O)/CCO
InChI
InChI=1S/C11H20N2O5/c1-8(4-6-14)7-10(15)13(18)5-2-3-9(12)11(16)17/h7,9,14,18H,2-6,12H2,1H3,(H,16,17)/b8-7-/t9-/m0/s1
InChIKey
WRFIKQWBKYAFNH-FUOZMLNRSA-N
Compound name
(2S)-2-amino-5-[hydroxy-[(Z)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

260.1372 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14448 162.5
[M+Na]+ 283.12642 164.6
[M-H]- 259.12992 158.7
[M+NH4]+ 278.17102 176.3
[M+K]+ 299.10036 164.4
[M+H-H2O]+ 243.13446 156.1
[M+HCOO]- 305.13540 179.8
[M+CH3COO]- 319.15105 197.7
[M+Na-2H]- 281.11187 159.0
[M]+ 260.13665 160.7
[M]- 260.13775 160.7
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.