CID 64448496

1-[2-(1h-pyrazol-1-yl)ethyl]-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C9H10N4O2
SMILES
C1=CN(N=C1)CCN2C=CC(=N2)C(=O)O
InChI
InChI=1S/C9H10N4O2/c14-9(15)8-2-5-13(11-8)7-6-12-4-1-3-10-12/h1-5H,6-7H2,(H,14,15)
InChIKey
MQCKGUPBMQPALX-UHFFFAOYSA-N
Compound name
1-(2-pyrazol-1-ylethyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.08037 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08765 142.9
[M+Na]+ 229.06959 154.2
[M+NH4]+ 224.11419 148.5
[M+K]+ 245.04353 153.7
[M-H]- 205.07309 142.1
[M+Na-2H]- 227.05504 149.1
[M]+ 206.07982 143.9
[M]- 206.08092 143.9
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.

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No patent data available for this compound.