CID 522247

2-(2-hydroxyethyl)-pyrazine

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1=CN=C(C=N1)CCO
InChI
InChI=1S/C6H8N2O/c9-4-1-6-5-7-2-3-8-6/h2-3,5,9H,1,4H2
InChIKey
MHDJZGMTVSLZDB-UHFFFAOYSA-N
Compound name
2-pyrazin-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

124.06366 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 123.0
[M+Na]+ 147.05288 131.3
[M-H]- 123.05638 122.6
[M+NH4]+ 142.09748 141.9
[M+K]+ 163.02682 129.5
[M+H-H2O]+ 107.06092 116.2
[M+HCOO]- 169.06186 144.7
[M+CH3COO]- 183.07751 167.0
[M+Na-2H]- 145.03833 132.5
[M]+ 124.06311 122.4
[M]- 124.06421 122.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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