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 141.6
[M+Na]+ 229.06959 151.4
[M-H]- 205.07309 142.9
[M+NH4]+ 224.11419 157.8
[M+K]+ 245.04353 148.9
[M+H-H2O]+ 189.07763 132.6
[M+HCOO]- 251.07857 163.4
[M+CH3COO]- 265.09422 180.9
[M+Na-2H]- 227.05504 145.4
[M]+ 206.07982 144.0
[M]- 206.08092 144.0
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

No patent data available for this compound.