CID 19049021

179686-22-7

Structural Information

Molecular Formula

C₉H₁₇N₃O₂

SMILES

CC(C)(C)OC(=O)N1CCN=C(C1)N

InChI

InChI=1S/C9H17N3O2/c1-9(2,3)14-8(13)12-5-4-11-7(10)6-12/h4-6H2,1-3H3,(H2,10,11)

InChIKey

AQYJBWNCDKSQJH-UHFFFAOYSA-N

Compound name

tert-butyl 6-amino-3,5-dihydro-2H-pyrazine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 199.13208 Da
Monoisotopic Mass: -0.3
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]+	200.13936	145.4
[M+Na]+	222.12130	154.3
[M+NH4]+	217.16590	151.4
[M+K]+	238.09524	151.0
[M-H]-	198.12480	144.7
[M+Na-2H]-	220.10675	148.9
[M]+	199.13153	146.1
[M]-	199.13263	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe