CID 156068145

1-cyclopropyl-3-ethyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CCC1=NN(C=C1C(=O)O)C2CC2
InChI
InChI=1S/C9H12N2O2/c1-2-8-7(9(12)13)5-11(10-8)6-3-4-6/h5-6H,2-4H2,1H3,(H,12,13)
InChIKey
UPVVIKXCJGABTH-UHFFFAOYSA-N
Compound name
1-cyclopropyl-3-ethylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

180.08987 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 141.9
[M+Na]+ 203.07909 152.5
[M-H]- 179.08259 146.0
[M+NH4]+ 198.12369 155.8
[M+K]+ 219.05303 148.5
[M+H-H2O]+ 163.08713 134.8
[M+HCOO]- 225.08807 163.0
[M+CH3COO]- 239.10372 182.3
[M+Na-2H]- 201.06454 144.7
[M]+ 180.08932 145.0
[M]- 180.09042 145.0
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