CID 4776440

3-{5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl}propanoic acid

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CC1=C(C(=NC2=CC=NN12)C)CCC(=O)O
InChI
InChI=1S/C11H13N3O2/c1-7-9(3-4-11(15)16)8(2)14-10(13-7)5-6-12-14/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKey
KKNZEDKUTOBTGU-UHFFFAOYSA-N
Compound name
3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10077 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 148.1
[M+Na]+ 242.08999 161.1
[M+NH4]+ 237.13459 154.6
[M+K]+ 258.06393 157.6
[M-H]- 218.09349 147.4
[M+Na-2H]- 240.07544 152.6
[M]+ 219.10022 149.5
[M]- 219.10132 149.5
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.

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No patent data available for this compound.