CID 16637310

900137-38-4

Structural Information

Molecular Formula
C12H12N4O2
SMILES
CC1=C(C(=NC2=C(C=NN12)C#N)C)CCC(=O)O
InChI
InChI=1S/C12H12N4O2/c1-7-10(3-4-11(17)18)8(2)16-12(15-7)9(5-13)6-14-16/h6H,3-4H2,1-2H3,(H,17,18)
InChIKey
AOFBMCIQKCEFFI-UHFFFAOYSA-N
Compound name
3-(3-cyano-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

244.09602 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.10330 154.3
[M+Na]+ 267.08524 166.5
[M+NH4]+ 262.12984 156.9
[M+K]+ 283.05918 159.9
[M-H]- 243.08874 146.3
[M+Na-2H]- 265.07069 155.7
[M]+ 244.09547 152.8
[M]- 244.09657 152.8
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.