CID 7021267

Ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate

Structural Information

Molecular Formula

C₉H₉N₃O₂

SMILES

CCOC(=O)C1=C2N=CC=CN2N=C1

InChI

InChI=1S/C9H9N3O2/c1-2-14-9(13)7-6-11-12-5-3-4-10-8(7)12/h3-6H,2H2,1H3

InChIKey

JEMAMNBFHPIPCR-UHFFFAOYSA-N

Compound name

ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 191.06947 Da
Monoisotopic Mass: 0.5
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]+	192.07675	138.5
[M+Na]+	214.05869	151.8
[M+NH4]+	209.10329	145.7
[M+K]+	230.03263	148.0
[M-H]-	190.06219	138.3
[M+Na-2H]-	212.04414	144.7
[M]+	191.06892	140.1
[M]-	191.07002	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe