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]+ 261.144476 162.5
[M+Na]+ 283.126418 164.6
[M-H]- 259.129924 158.7
[M+NH4]+ 278.171023 176.3
[M+K]+ 299.100358 164.4
[M+H-H2O]+ 243.134460 156.1
[M+HCOO]- 305.135401 179.8
[M+CH3COO]- 319.151051 197.7
[M+Na-2H]- 281.111866 159.0
[M]+ 260.13665142 160.7
[M]- 260.13774858 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.