CID 10263495

2-iodo-6-methoxypyrazine

Structural Information

Molecular Formula
C5H5IN2O
SMILES
COC1=CN=CC(=N1)I
InChI
InChI=1S/C5H5IN2O/c1-9-5-3-7-2-4(6)8-5/h2-3H,1H3
InChIKey
NSZWVUZALRZRLQ-UHFFFAOYSA-N
Compound name
2-iodo-6-methoxypyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

235.94466 Da
Monoisotopic Mass

1.6
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

No literature data available for this compound.

Patent stripe

patents stripe