CID 137951520

2174007-60-2

Structural Information

Molecular Formula

C₁₃H₁₇N₃O₂

SMILES

CC(C)(C)OC(=O)N1CCN2C(=C(C=N2)C#C)C1

InChI

InChI=1S/C13H17N3O2/c1-5-10-8-14-16-7-6-15(9-11(10)16)12(17)18-13(2,3)4/h1,8H,6-7,9H2,2-4H3

InChIKey

UBWIYZZAPOSXQT-UHFFFAOYSA-N

Compound name

tert-butyl 3-ethynyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 247.13208 Da
Monoisotopic Mass: 0.9
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]+	248.139356	158.4
[M+Na]+	270.121298	167.7
[M-H]-	246.124804	156.5
[M+NH4]+	265.165903	172.4
[M+K]+	286.095238	163.5
[M+H-H2O]+	230.129340	144.2
[M+HCOO]-	292.130281	168.0
[M+CH3COO]-	306.145931	199.6
[M+Na-2H]-	268.106746	160.0
[M]+	247.13153142	152.9
[M]-	247.13262858	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe