CID 5325957

110117-71-0

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₂

SMILES

CCOC1=N[C@@H](C(=NC1)OCC)C(C)C

InChI

InChI=1S/C11H20N2O2/c1-5-14-9-7-12-11(15-6-2)10(13-9)8(3)4/h8,10H,5-7H2,1-4H3/t10-/m1/s1

InChIKey

HRAZLOIRFUQOPL-SNVBAGLBSA-N

Compound name

(2R)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 118
Patents: 212.15248 Da
Monoisotopic Mass: 2.1
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]+	213.15976	150.2
[M+Na]+	235.14170	157.6
[M-H]-	211.14520	151.0
[M+NH4]+	230.18630	166.9
[M+K]+	251.11564	156.7
[M+H-H2O]+	195.14974	142.7
[M+HCOO]-	257.15068	169.6
[M+CH3COO]-	271.16633	188.9
[M+Na-2H]-	233.12715	153.8
[M]+	212.15193	153.4
[M]-	212.15303	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe