CID 38999989

1144447-35-7

Structural Information

Molecular Formula
C11H13N3O3
SMILES
CC1=C(C(=NC2=CC(=O)NN12)C)CCC(=O)O
InChI
InChI=1S/C11H13N3O3/c1-6-8(3-4-11(16)17)7(2)14-9(12-6)5-10(15)13-14/h5H,3-4H2,1-2H3,(H,13,15)(H,16,17)
InChIKey
SBGWVFWDRJOBGJ-UHFFFAOYSA-N
Compound name
3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.09569 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10297 150.7
[M+Na]+ 258.08491 162.5
[M-H]- 234.08841 150.1
[M+NH4]+ 253.12951 166.8
[M+K]+ 274.05885 158.0
[M+H-H2O]+ 218.09295 143.8
[M+HCOO]- 280.09389 169.6
[M+CH3COO]- 294.10954 187.9
[M+Na-2H]- 256.07036 154.3
[M]+ 235.09514 154.0
[M]- 235.09624 154.0
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

No patent data available for this compound.