CID 130133449

1823521-93-2

Structural Information

Molecular Formula

C₁₃H₁₇N₃O₂

SMILES

CC(C)(C)OC(=O)N1CCN2C(=CC=C2C#N)C1

InChI

InChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)15-6-7-16-10(8-14)4-5-11(16)9-15/h4-5H,6-7,9H2,1-3H3

InChIKey

COLMLIGQLJYDAZ-UHFFFAOYSA-N

Compound name

tert-butyl 6-cyano-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 247.13208 Da
Monoisotopic Mass: 1.1
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	159.0
[M+Na]+	270.121298	168.1
[M-H]-	246.124804	159.7
[M+NH4]+	265.165903	174.7
[M+K]+	286.095238	164.4
[M+H-H2O]+	230.129340	145.2
[M+HCOO]-	292.130281	172.2
[M+CH3COO]-	306.145931	203.7
[M+Na-2H]-	268.106746	161.5
[M]+	247.13153142	154.1
[M]-	247.13262858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.