CID 83815773

Pyrazolo[1,5-a]pyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C7H5N3O2
SMILES
C1=CN2C(=CC(=N2)C(=O)O)C=N1
InChI
InChI=1S/C7H5N3O2/c11-7(12)6-3-5-4-8-1-2-10(5)9-6/h1-4H,(H,11,12)
InChIKey
ODWNSLBQEJLQJD-UHFFFAOYSA-N
Compound name
pyrazolo[1,5-a]pyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

163.03818 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.04546 129.1
[M+Na]+ 186.02740 140.2
[M-H]- 162.03090 129.3
[M+NH4]+ 181.07200 148.0
[M+K]+ 202.00134 137.6
[M+H-H2O]+ 146.03544 121.8
[M+HCOO]- 208.03638 150.6
[M+CH3COO]- 222.05203 143.0
[M+Na-2H]- 184.01285 137.5
[M]+ 163.03763 130.9
[M]- 163.03873 130.9
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.

Patent stripe

patents stripe