CID 105436734

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

Structural Information

Molecular Formula
C8H7N3O2
SMILES
CC1=NN2C=CC(=NC2=C1)C(=O)O
InChI
InChI=1S/C8H7N3O2/c1-5-4-7-9-6(8(12)13)2-3-11(7)10-5/h2-4H,1H3,(H,12,13)
InChIKey
HFHSAVXLDRIOJW-UHFFFAOYSA-N
Compound name
2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

177.05383 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 133.9
[M+Na]+ 200.04305 145.5
[M+NH4]+ 195.08765 134.3
[M+K]+ 216.01699 152.5
[M-H]- 176.04655 142.6
[M+Na-2H]- 198.02850 126.7
[M]+ 177.05328 155.0
[M]- 177.05438 177.5
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