CID 12327764

10071-26-8

Structural Information

Molecular Formula
C7H8N2O4
SMILES
COC(=O)CC1=CC(=O)NNC1=O
InChI
InChI=1S/C7H8N2O4/c1-13-6(11)3-4-2-5(10)8-9-7(4)12/h2H,3H2,1H3,(H,8,10)(H,9,12)
InChIKey
BQUPTTOGBOMLEB-UHFFFAOYSA-N
Compound name
methyl 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

184.0484 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.055676 134.0
[M+Na]+ 207.037618 143.7
[M-H]- 183.041124 133.0
[M+NH4]+ 202.082223 150.0
[M+K]+ 223.011558 141.0
[M+H-H2O]+ 167.045660 127.4
[M+HCOO]- 229.046601 154.0
[M+CH3COO]- 243.062251 174.0
[M+Na-2H]- 205.023066 139.7
[M]+ 184.04785142 134.2
[M]- 184.04894858 134.2
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