CID 25220763

3-cyclopropyl-1-ethyl-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CCN1C(=CC(=N1)C2CC2)C(=O)O
InChI
InChI=1S/C9H12N2O2/c1-2-11-8(9(12)13)5-7(10-11)6-3-4-6/h5-6H,2-4H2,1H3,(H,12,13)
InChIKey
BZNYNHBRKZQZHZ-UHFFFAOYSA-N
Compound name
3-cyclopropyl-1-ethylpyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

180.08987 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 141.9
[M+Na]+ 203.079088 152.5
[M-H]- 179.082594 146.0
[M+NH4]+ 198.123693 155.8
[M+K]+ 219.053028 148.5
[M+H-H2O]+ 163.087130 134.8
[M+HCOO]- 225.088071 163.0
[M+CH3COO]- 239.103721 182.3
[M+Na-2H]- 201.064536 144.7
[M]+ 180.08932142 145.0
[M]- 180.09041858 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