CID 254428

2-(3,6-dioxo-1,2,3,6-tetrahydropyridazin-4-yl)acetic acid

Structural Information

Molecular Formula
C6H6N2O4
SMILES
C1=C(C(=O)NNC1=O)CC(=O)O
InChI
InChI=1S/C6H6N2O4/c9-4-1-3(2-5(10)11)6(12)8-7-4/h1H,2H2,(H,7,9)(H,8,12)(H,10,11)
InChIKey
MIXPCRZDRIRXJD-UHFFFAOYSA-N
Compound name
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

170.03276 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.040036 130.3
[M+Na]+ 193.021978 139.9
[M-H]- 169.025484 128.0
[M+NH4]+ 188.066583 146.0
[M+K]+ 208.995918 136.4
[M+H-H2O]+ 153.030020 124.1
[M+HCOO]- 215.030961 149.0
[M+CH3COO]- 229.046611 169.2
[M+Na-2H]- 191.007426 135.9
[M]+ 170.03221142 128.2
[M]- 170.03330858 128.2
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