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

20
Patents

188.03343 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04071 139.6
[M+Na]+ 211.02265 151.9
[M+NH4]+ 206.06725 142.8
[M+K]+ 226.99659 145.7
[M-H]- 187.02615 131.7
[M+Na-2H]- 209.00810 142.4
[M]+ 188.03288 138.1
[M]- 188.03398 138.1
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