CID 3159636

2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Structural Information

Molecular Formula
C8H7N3O2
SMILES
CC1=NN2C=CC=NC2=C1C(=O)O
InChI
InChI=1S/C8H7N3O2/c1-5-6(8(12)13)7-9-3-2-4-11(7)10-5/h2-4H,1H3,(H,12,13)
InChIKey
IRJAFYDJCLVTRN-UHFFFAOYSA-N
Compound name
2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

177.05383 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.061106 133.9
[M+Na]+ 200.043048 145.5
[M-H]- 176.046554 134.3
[M+NH4]+ 195.087653 152.5
[M+K]+ 216.016988 142.6
[M+H-H2O]+ 160.051090 126.7
[M+HCOO]- 222.052031 155.0
[M+CH3COO]- 236.067681 177.5
[M+Na-2H]- 198.028496 141.0
[M]+ 177.05328142 136.4
[M]- 177.05437858 136.4
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