CID 13555893

6-methylpyridazine-3-carboxylic acid

Structural Information

Molecular Formula
C6H6N2O2
SMILES
CC1=NN=C(C=C1)C(=O)O
InChI
InChI=1S/C6H6N2O2/c1-4-2-3-5(6(9)10)8-7-4/h2-3H,1H3,(H,9,10)
InChIKey
SJWGLCDFBFCHNV-UHFFFAOYSA-N
Compound name
6-methylpyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

138.04292 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05020 125.7
[M+Na]+ 161.03214 138.4
[M+NH4]+ 156.07674 132.8
[M+K]+ 177.00608 133.8
[M-H]- 137.03564 125.5
[M+Na-2H]- 159.01759 132.1
[M]+ 138.04237 127.2
[M]- 138.04347 127.2
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

patents stripe