CID 116803966

5-[(1-ethyl-1h-pyrazol-4-yl)oxy]pyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C10H10N4O3
SMILES
CCN1C=C(C=N1)OC2=NC=C(N=C2)C(=O)O
InChI
InChI=1S/C10H10N4O3/c1-2-14-6-7(3-13-14)17-9-5-11-8(4-12-9)10(15)16/h3-6H,2H2,1H3,(H,15,16)
InChIKey
VVMCEJCTTJKZDE-UHFFFAOYSA-N
Compound name
5-(1-ethylpyrazol-4-yl)oxypyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.07529 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.082566 149.3
[M+Na]+ 257.064508 158.7
[M-H]- 233.068014 150.2
[M+NH4]+ 252.109113 162.6
[M+K]+ 273.038448 155.9
[M+H-H2O]+ 217.072550 139.9
[M+HCOO]- 279.073491 168.7
[M+CH3COO]- 293.089141 187.1
[M+Na-2H]- 255.049956 153.7
[M]+ 234.07474142 151.6
[M]- 234.07583858 151.6
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.