CID 47003330

3-(2,3-dioxo-1,2,3,4-tetrahydropyrazin-1-yl)propanoic acid

Structural Information

Molecular Formula
C7H8N2O4
SMILES
C1=CN(C(=O)C(=O)N1)CCC(=O)O
InChI
InChI=1S/C7H8N2O4/c10-5(11)1-3-9-4-2-8-6(12)7(9)13/h2,4H,1,3H2,(H,8,12)(H,10,11)
InChIKey
HOTUXCYCSCDRGV-UHFFFAOYSA-N
Compound name
3-(2,3-dioxo-1H-pyrazin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.0484 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.055676 133.7
[M+Na]+ 207.037618 143.4
[M-H]- 183.041124 132.7
[M+NH4]+ 202.082223 149.6
[M+K]+ 223.011558 140.6
[M+H-H2O]+ 167.045660 127.1
[M+HCOO]- 229.046601 153.7
[M+CH3COO]- 243.062251 174.6
[M+Na-2H]- 205.023066 139.4
[M]+ 184.04785142 133.9
[M]- 184.04894858 133.9
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.