CID 10977417

2-iodo-3-methoxypyrazine

Structural Information

Molecular Formula
C5H5IN2O
SMILES
COC1=NC=CN=C1I
InChI
InChI=1S/C5H5IN2O/c1-9-5-4(6)7-2-3-8-5/h2-3H,1H3
InChIKey
PDMRYBKGSOJHJJ-UHFFFAOYSA-N
Compound name
2-iodo-3-methoxypyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

235.94466 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.951936 128.0
[M+Na]+ 258.933878 130.7
[M-H]- 234.937384 122.4
[M+NH4]+ 253.978483 142.7
[M+K]+ 274.907818 135.6
[M+H-H2O]+ 218.941920 117.7
[M+HCOO]- 280.942861 146.2
[M+CH3COO]- 294.958511 179.8
[M+Na-2H]- 256.919326 125.3
[M]+ 235.94411142 126.8
[M]- 235.94520858 126.8
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

patents stripe