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

30
Patents

184.0484 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05568 134.0
[M+Na]+ 207.03762 143.7
[M-H]- 183.04112 133.0
[M+NH4]+ 202.08222 150.0
[M+K]+ 223.01156 141.0
[M+H-H2O]+ 167.04566 127.4
[M+HCOO]- 229.04660 154.0
[M+CH3COO]- 243.06225 174.0
[M+Na-2H]- 205.02307 139.7
[M]+ 184.04785 134.2
[M]- 184.04895 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