CID 53414730

3-methylpyridazine-4-carboxylic acid

Structural Information

Molecular Formula
C6H6N2O2
SMILES
CC1=C(C=CN=N1)C(=O)O
InChI
InChI=1S/C6H6N2O2/c1-4-5(6(9)10)2-3-7-8-4/h2-3H,1H3,(H,9,10)
InChIKey
UTQRGFJATKOAMS-UHFFFAOYSA-N
Compound name
3-methylpyridazine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

138.04292 Da
Monoisotopic Mass

-0.2
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

literature stripe

Patent stripe

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