CID 13318698

2-methoxy-6-(piperazin-1-yl)pyrazine

Structural Information

Molecular Formula

C₉H₁₄N₄O

SMILES

COC1=NC(=CN=C1)N2CCNCC2

InChI

InChI=1S/C9H14N4O/c1-14-9-7-11-6-8(12-9)13-4-2-10-3-5-13/h6-7,10H,2-5H2,1H3

InChIKey

VSARXIPDRASTTK-UHFFFAOYSA-N

Compound name

2-methoxy-6-piperazin-1-ylpyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 194.11676 Da
Monoisotopic Mass: -0.1
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]+	195.12404	145.2
[M+Na]+	217.10598	151.4
[M-H]-	193.10948	144.2
[M+NH4]+	212.15058	157.9
[M+K]+	233.07992	148.0
[M+H-H2O]+	177.11402	135.1
[M+HCOO]-	239.11496	160.1
[M+CH3COO]-	253.13061	155.2
[M+Na-2H]-	215.09143	151.5
[M]+	194.11621	140.1
[M]-	194.11731	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe