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[5,4-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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	232.108046	158.4
[M+Na]+	254.089988	171.8
[M-H]-	230.093494	162.7
[M+NH4]+	249.134593	170.4
[M+K]+	270.063928	165.5
[M+H-H2O]+	214.098030	150.8
[M+HCOO]-	276.098971	178.3
[M+CH3COO]-	290.114621	170.6
[M+Na-2H]-	252.075436	161.4
[M]+	231.10022142	163.8
[M]-	231.10131858	163.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe