CID 155821671

2460749-60-2

Structural Information

Molecular Formula
C8H8N2O3
SMILES
C1CC2=NN=C(C=C2OC1)C(=O)O
InChI
InChI=1S/C8H8N2O3/c11-8(12)6-4-7-5(9-10-6)2-1-3-13-7/h4H,1-3H2,(H,11,12)
InChIKey
YTRTXWGCIKTCFF-UHFFFAOYSA-N
Compound name
7,8-dihydro-6H-pyrano[3,2-c]pyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.0535 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.060776 134.6
[M+Na]+ 203.042718 142.3
[M-H]- 179.046224 135.5
[M+NH4]+ 198.087323 150.6
[M+K]+ 219.016658 141.5
[M+H-H2O]+ 163.050760 127.2
[M+HCOO]- 225.051701 151.2
[M+CH3COO]- 239.067351 176.6
[M+Na-2H]- 201.028166 143.0
[M]+ 180.05295142 133.2
[M]- 180.05404858 133.2
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

No patent data available for this compound.