CID 71741943

6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Structural Information

Molecular Formula
C8H4N4O2
SMILES
C1=C(C=NC2=C(C=NN21)C(=O)O)C#N
InChI
InChI=1S/C8H4N4O2/c9-1-5-2-10-7-6(8(13)14)3-11-12(7)4-5/h2-4H,(H,13,14)
InChIKey
MOKPOWWDCQRHBW-UHFFFAOYSA-N
Compound name
6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

188.03343 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.040706 137.0
[M+Na]+ 211.022648 149.3
[M-H]- 187.026154 135.9
[M+NH4]+ 206.067253 152.5
[M+K]+ 226.996588 145.3
[M+H-H2O]+ 171.030690 122.3
[M+HCOO]- 233.031631 154.1
[M+CH3COO]- 247.047281 148.4
[M+Na-2H]- 209.008096 143.1
[M]+ 188.03288142 133.5
[M]- 188.03397858 133.5
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