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]+ 207.087646 141.6
[M+Na]+ 229.069588 151.4
[M-H]- 205.073094 142.9
[M+NH4]+ 224.114193 157.8
[M+K]+ 245.043528 148.9
[M+H-H2O]+ 189.077630 132.6
[M+HCOO]- 251.078571 163.4
[M+CH3COO]- 265.094221 180.9
[M+Na-2H]- 227.055036 145.4
[M]+ 206.07982142 144.0
[M]- 206.08091858 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.