CID 229302

2-(3,6-dioxo-1,2,3,6-tetrahydropyridazin-1-yl)acetic acid

Structural Information

Molecular Formula
C6H6N2O4
SMILES
C1=CC(=O)N(NC1=O)CC(=O)O
InChI
InChI=1S/C6H6N2O4/c9-4-1-2-5(10)8(7-4)3-6(11)12/h1-2H,3H2,(H,7,9)(H,11,12)
InChIKey
XVSCOGMAPCVMSV-UHFFFAOYSA-N
Compound name
2-(3,6-dioxo-1H-pyridazin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

170.03276 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.04004 129.2
[M+Na]+ 193.02198 139.2
[M-H]- 169.02548 128.3
[M+NH4]+ 188.06658 145.6
[M+K]+ 208.99592 136.7
[M+H-H2O]+ 153.03002 122.8
[M+HCOO]- 215.03096 149.5
[M+CH3COO]- 229.04661 171.6
[M+Na-2H]- 191.00743 135.4
[M]+ 170.03221 129.0
[M]- 170.03331 129.0
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