CID 86661367

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

Structural Information

Molecular Formula
C8H5N3O3
SMILES
C1=C(C=NC2=C(C=NN21)C(=O)O)C=O
InChI
InChI=1S/C8H5N3O3/c12-4-5-1-9-7-6(8(13)14)2-10-11(7)3-5/h1-4H,(H,13,14)
InChIKey
BLFAQVDMGROPLP-UHFFFAOYSA-N
Compound name
6-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

191.0331 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.040376 135.5
[M+Na]+ 214.022318 147.3
[M-H]- 190.025824 136.0
[M+NH4]+ 209.066923 153.4
[M+K]+ 229.996258 144.4
[M+H-H2O]+ 174.030360 128.3
[M+HCOO]- 236.031301 157.1
[M+CH3COO]- 250.046951 178.8
[M+Na-2H]- 212.007766 142.7
[M]+ 191.03255142 138.8
[M]- 191.03364858 138.8
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