CID 11150691

313654-83-0

Structural Information

Molecular Formula

C₁₃H₁₉ClN₄O₂

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=CN=C2Cl

InChI

InChI=1S/C13H19ClN4O2/c1-13(2,3)20-12(19)18-8-6-17(7-9-18)11-10(14)15-4-5-16-11/h4-5H,6-9H2,1-3H3

InChIKey

IJINSJSWDSHUBL-UHFFFAOYSA-N

Compound name

tert-butyl 4-(3-chloropyrazin-2-yl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 128
Patents: 298.11966 Da
Monoisotopic Mass: 1.9
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]+	299.12694	170.0
[M+Na]+	321.10888	177.0
[M-H]-	297.11238	170.6
[M+NH4]+	316.15348	180.5
[M+K]+	337.08282	173.0
[M+H-H2O]+	281.11692	160.3
[M+HCOO]-	343.11786	178.3
[M+CH3COO]-	357.13351	199.6
[M+Na-2H]-	319.09433	173.4
[M]+	298.11911	169.9
[M]-	298.12021	169.9

Literature stripe

literature stripe

Patent stripe

patents stripe