CID 83706254

1523092-38-7

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₂

SMILES

CC1=CC(=NC2=C(C=NN12)C(C)C)C(=O)O

InChI

InChI=1S/C11H13N3O2/c1-6(2)8-5-12-14-7(3)4-9(11(15)16)13-10(8)14/h4-6H,1-3H3,(H,15,16)

InChIKey

ZNFUQFWYXQKVPH-UHFFFAOYSA-N

Compound name

7-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 219.10077 Da
Monoisotopic Mass: 1.7
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]+	220.108046	147.7
[M+Na]+	242.089988	158.7
[M-H]-	218.093494	148.2
[M+NH4]+	237.134593	164.9
[M+K]+	258.063928	155.6
[M+H-H2O]+	202.098030	140.5
[M+HCOO]-	264.098971	166.9
[M+CH3COO]-	278.114621	188.6
[M+Na-2H]-	240.075436	151.4
[M]+	219.10022142	151.2
[M]-	219.10131858	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.