CID 175170

2-ethoxy-3-isopropylpyrazine

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

CCOC1=NC=CN=C1C(C)C

InChI

InChI=1S/C9H14N2O/c1-4-12-9-8(7(2)3)10-5-6-11-9/h5-7H,4H2,1-3H3

InChIKey

LTAUBPVQMBOANV-UHFFFAOYSA-N

Compound name

2-ethoxy-3-propan-2-ylpyrazine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 256
Patents: 166.11061 Da
Monoisotopic Mass: 2.6
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]+	167.117886	136.0
[M+Na]+	189.099828	144.2
[M-H]-	165.103334	137.0
[M+NH4]+	184.144433	154.2
[M+K]+	205.073768	143.0
[M+H-H2O]+	149.107870	128.7
[M+HCOO]-	211.108811	157.2
[M+CH3COO]-	225.124461	180.7
[M+Na-2H]-	187.085276	142.4
[M]+	166.11006142	138.1
[M]-	166.11115858	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe