CID 50987683

2-{5-methyl-7-oxo-4h,7h-pyrazolo[1,5-a]pyrimidin-6-yl}acetic acid

Structural Information

Molecular Formula
C9H9N3O3
SMILES
CC1=C(C(=O)N2C(=N1)C=CN2)CC(=O)O
InChI
InChI=1S/C9H9N3O3/c1-5-6(4-8(13)14)9(15)12-7(11-5)2-3-10-12/h2-3,10H,4H2,1H3,(H,13,14)
InChIKey
JHRSYTGMURMQOX-UHFFFAOYSA-N
Compound name
2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

207.06439 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07167 142.5
[M+Na]+ 230.05361 154.9
[M+NH4]+ 225.09821 148.0
[M+K]+ 246.02755 152.6
[M-H]- 206.05711 140.6
[M+Na-2H]- 228.03906 146.3
[M]+ 207.06384 143.3
[M]- 207.06494 143.3
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