CID 165948304

5-propylpyridazine-3-carboxylic acid

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CCCC1=CC(=NN=C1)C(=O)O
InChI
InChI=1S/C8H10N2O2/c1-2-3-6-4-7(8(11)12)10-9-5-6/h4-5H,2-3H2,1H3,(H,11,12)
InChIKey
VNPQPPGCZYUMCW-UHFFFAOYSA-N
Compound name
5-propylpyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.081506 134.0
[M+Na]+ 189.063448 142.4
[M-H]- 165.066954 133.8
[M+NH4]+ 184.108053 151.3
[M+K]+ 205.037388 140.4
[M+H-H2O]+ 149.071490 127.0
[M+HCOO]- 211.072431 154.4
[M+CH3COO]- 225.088081 176.2
[M+Na-2H]- 187.048896 140.4
[M]+ 166.07368142 134.6
[M]- 166.07477858 134.6
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.