CID 3159587

(3-methyl-6-oxopyridazin-1(6h)-yl)acetic acid

Structural Information

Molecular Formula
C7H8N2O3
SMILES
CC1=NN(C(=O)C=C1)CC(=O)O
InChI
InChI=1S/C7H8N2O3/c1-5-2-3-6(10)9(8-5)4-7(11)12/h2-3H,4H2,1H3,(H,11,12)
InChIKey
COOXMAGVIUSQDU-UHFFFAOYSA-N
Compound name
2-(3-methyl-6-oxopyridazin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

168.0535 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.060776 130.9
[M+Na]+ 191.042718 140.9
[M-H]- 167.046224 131.3
[M+NH4]+ 186.087323 148.4
[M+K]+ 207.016658 139.1
[M+H-H2O]+ 151.050760 124.3
[M+HCOO]- 213.051701 152.1
[M+CH3COO]- 227.067351 175.7
[M+Na-2H]- 189.028166 137.2
[M]+ 168.05295142 132.3
[M]- 168.05404858 132.3
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