CID 1415536

2-(6-oxo-1,6-dihydropyridazin-1-yl)acetic acid

Structural Information

Molecular Formula
C6H6N2O3
SMILES
C1=CC(=O)N(N=C1)CC(=O)O
InChI
InChI=1S/C6H6N2O3/c9-5-2-1-3-7-8(5)4-6(10)11/h1-3H,4H2,(H,10,11)
InChIKey
FGYLAVOPHWUTBM-UHFFFAOYSA-N
Compound name
2-(6-oxopyridazin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

154.03784 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.04512 126.7
[M+Na]+ 177.02706 136.2
[M-H]- 153.03056 126.9
[M+NH4]+ 172.07166 144.4
[M+K]+ 193.00100 134.6
[M+H-H2O]+ 137.03510 120.0
[M+HCOO]- 199.03604 148.2
[M+CH3COO]- 213.05169 171.4
[M+Na-2H]- 175.01251 134.2
[M]+ 154.03729 127.4
[M]- 154.03839 127.4
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