CID 2736303

175201-51-1

Structural Information

Molecular Formula
C9H9N3O2
SMILES
CC1=NN2C(=C(C=NC2=C1)C(=O)O)C
InChI
InChI=1S/C9H9N3O2/c1-5-3-8-10-4-7(9(13)14)6(2)12(8)11-5/h3-4H,1-2H3,(H,13,14)
InChIKey
CACYYYIWDACOAQ-UHFFFAOYSA-N
Compound name
2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

191.06947 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.076746 138.5
[M+Na]+ 214.058688 150.7
[M-H]- 190.062194 139.2
[M+NH4]+ 209.103293 157.0
[M+K]+ 230.032628 147.5
[M+H-H2O]+ 174.066730 131.6
[M+HCOO]- 236.067671 159.4
[M+CH3COO]- 250.083321 181.7
[M+Na-2H]- 212.044136 144.4
[M]+ 191.06892142 141.9
[M]- 191.07001858 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe