CID 240623

4-[2-(3-carboxyprop-2-enoylamino)ethylamino]-4-oxobut-2-enoic acid

Structural Information

Molecular Formula
C10H12N2O6
SMILES
C(CNC(=O)C=CC(=O)O)NC(=O)C=CC(=O)O
InChI
InChI=1S/C10H12N2O6/c13-7(1-3-9(15)16)11-5-6-12-8(14)2-4-10(17)18/h1-4H,5-6H2,(H,11,13)(H,12,14)(H,15,16)(H,17,18)
InChIKey
OYNNHEMQCZQNEW-UHFFFAOYSA-N
Compound name
4-[2-(3-carboxyprop-2-enoylamino)ethylamino]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

256.06955 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07683 157.6
[M+Na]+ 279.05877 160.6
[M+NH4]+ 274.10337 158.8
[M+K]+ 295.03271 160.2
[M-H]- 255.06227 151.7
[M+Na-2H]- 277.04422 154.8
[M]+ 256.06900 155.1
[M]- 256.07010 155.1
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

patents stripe