CID 60790842

6-(cyclopentyloxy)pyridazine-3-carboxylic acid

Structural Information

Molecular Formula
C10H12N2O3
SMILES
C1CCC(C1)OC2=NN=C(C=C2)C(=O)O
InChI
InChI=1S/C10H12N2O3/c13-10(14)8-5-6-9(12-11-8)15-7-3-1-2-4-7/h5-7H,1-4H2,(H,13,14)
InChIKey
QRUXVXOIPLWZKN-UHFFFAOYSA-N
Compound name
6-cyclopentyloxypyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0848 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09208 143.8
[M+Na]+ 231.07402 150.2
[M-H]- 207.07752 146.3
[M+NH4]+ 226.11862 160.5
[M+K]+ 247.04796 148.3
[M+H-H2O]+ 191.08206 135.8
[M+HCOO]- 253.08300 163.1
[M+CH3COO]- 267.09865 180.7
[M+Na-2H]- 229.05947 147.1
[M]+ 208.08425 141.8
[M]- 208.08535 141.8
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.