CID 22240268

5-methoxypyridazine-3-carboxylic acid

Structural Information

Molecular Formula
C6H6N2O3
SMILES
COC1=CC(=NN=C1)C(=O)O
InChI
InChI=1S/C6H6N2O3/c1-11-4-2-5(6(9)10)8-7-3-4/h2-3H,1H3,(H,9,10)
InChIKey
YOPNWBUWFQFLHQ-UHFFFAOYSA-N
Compound name
5-methoxypyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

154.03784 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.045116 127.6
[M+Na]+ 177.027058 136.7
[M-H]- 153.030564 127.7
[M+NH4]+ 172.071663 145.3
[M+K]+ 193.000998 135.8
[M+H-H2O]+ 137.035100 120.8
[M+HCOO]- 199.036041 148.9
[M+CH3COO]- 213.051691 172.2
[M+Na-2H]- 175.012506 135.1
[M]+ 154.03729142 128.9
[M]- 154.03838858 128.9
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