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]+ 181.06078 134.6
[M+Na]+ 203.04272 142.3
[M-H]- 179.04622 135.5
[M+NH4]+ 198.08732 150.6
[M+K]+ 219.01666 141.5
[M+H-H2O]+ 163.05076 127.2
[M+HCOO]- 225.05170 151.2
[M+CH3COO]- 239.06735 176.6
[M+Na-2H]- 201.02817 143.0
[M]+ 180.05295 133.2
[M]- 180.05405 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.