CID 58154190

590390-31-1

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₃

SMILES

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

InChI

InChI=1S/C10H18N2O3/c1-10(2,3)15-9(13)12-6-5-11-8(7-12)14-4/h5-7H2,1-4H3

InChIKey

VATRKSAYTIKXFH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 214.13174 Da
Monoisotopic Mass: 0.7
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]+	215.13902	149.8
[M+Na]+	237.12096	156.3
[M-H]-	213.12446	150.4
[M+NH4]+	232.16556	166.1
[M+K]+	253.09490	156.3
[M+H-H2O]+	197.12900	142.8
[M+HCOO]-	259.12994	166.9
[M+CH3COO]-	273.14559	185.3
[M+Na-2H]-	235.10641	154.4
[M]+	214.13119	150.9
[M]-	214.13229	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe