CID 131750870

L-agaridoxin

Structural Information

Molecular Formula
C11H14N2O5
SMILES
C1=CC(=C(C=C1NC(=O)CCC(C(=O)O)N)O)O
InChI
InChI=1S/C11H14N2O5/c12-7(11(17)18)2-4-10(16)13-6-1-3-8(14)9(15)5-6/h1,3,5,7,14-15H,2,4,12H2,(H,13,16)(H,17,18)
InChIKey
HJLNKWYSKFDHDG-UHFFFAOYSA-N
Compound name
2-amino-5-(3,4-dihydroxyanilino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.09027 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09755 156.3
[M+Na]+ 277.07949 162.6
[M+NH4]+ 272.12409 159.9
[M+K]+ 293.05343 161.4
[M-H]- 253.08299 154.6
[M+Na-2H]- 275.06494 157.3
[M]+ 254.08972 155.9
[M]- 254.09082 155.9
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.