CID 56717072

4h,5h,6h,7h-pyrazolo[1,5-a]pyrazine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H9N3O2
SMILES
C1CN2C(=CC(=N2)C(=O)O)CN1
InChI
InChI=1S/C7H9N3O2/c11-7(12)6-3-5-4-8-1-2-10(5)9-6/h3,8H,1-2,4H2,(H,11,12)
InChIKey
BOPOKWDSMFKQMF-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

167.06947 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 134.6
[M+Na]+ 190.05869 142.2
[M-H]- 166.06219 132.2
[M+NH4]+ 185.10329 152.2
[M+K]+ 206.03263 139.4
[M+H-H2O]+ 150.06673 127.4
[M+HCOO]- 212.06767 150.2
[M+CH3COO]- 226.08332 171.8
[M+Na-2H]- 188.04414 139.4
[M]+ 167.06892 130.2
[M]- 167.07002 130.2
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