CID 135741928

1698653-24-5

Structural Information

Molecular Formula

C₉H₁₃N₃O₂

SMILES

CCOC(=O)C1=NN2CCCNC2=C1

InChI

InChI=1S/C9H13N3O2/c1-2-14-9(13)7-6-8-10-4-3-5-12(8)11-7/h6,10H,2-5H2,1H3

InChIKey

KXZOQAZSLXZMRC-UHFFFAOYSA-N

Compound name

ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 195.10077 Da
Monoisotopic Mass: 1.2
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]+	196.10805	143.4
[M+Na]+	218.08999	153.3
[M+NH4]+	213.13459	150.0
[M+K]+	234.06393	150.4
[M-H]-	194.09349	142.1
[M+Na-2H]-	216.07544	146.2
[M]+	195.10022	144.0
[M]-	195.10132	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe