CID 5919521

Nsc 3690

Structural Information

Molecular Formula
C8H8N2O6
SMILES
C(=C/C(=O)O)\C(=O)NNC(=O)/C=C/C(=O)O
InChI
InChI=1S/C8H8N2O6/c11-5(1-3-7(13)14)9-10-6(12)2-4-8(15)16/h1-4H,(H,9,11)(H,10,12)(H,13,14)(H,15,16)/b3-1+,4-2+
InChIKey
CUGSOUHYELLBJI-ZPUQHVIOSA-N
Compound name
(E)-4-[2-[(E)-3-carboxyprop-2-enoyl]hydrazinyl]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.03824 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.04552 146.5
[M+Na]+ 251.02746 151.0
[M-H]- 227.03096 143.8
[M+NH4]+ 246.07206 161.8
[M+K]+ 267.00140 150.0
[M+H-H2O]+ 211.03550 140.6
[M+HCOO]- 273.03644 167.2
[M+CH3COO]- 287.05209 186.0
[M+Na-2H]- 249.01291 147.1
[M]+ 228.03769 144.4
[M]- 228.03879 144.4
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.