CID 7174585

886503-63-5

Structural Information

Molecular Formula
C12H13N3O2
SMILES
CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)O)C
InChI
InChI=1S/C12H13N3O2/c1-6-10-8(12(16)17)5-9(7-3-4-7)13-11(10)15(2)14-6/h5,7H,3-4H2,1-2H3,(H,16,17)
InChIKey
GMQFFGPSZPLCJJ-UHFFFAOYSA-N
Compound name
6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

231.10077 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 154.2
[M+Na]+ 254.08999 169.1
[M+NH4]+ 249.13459 161.7
[M+K]+ 270.06393 166.6
[M-H]- 230.09349 162.1
[M+Na-2H]- 252.07544 161.8
[M]+ 231.10022 159.6
[M]- 231.10132 159.6
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