CID 3046172

2-chloro-3-methylpyrazine 1-oxide

Structural Information

Molecular Formula
C5H5ClN2O
SMILES
CC1=NC=C[N+](=C1Cl)[O-]
InChI
InChI=1S/C5H5ClN2O/c1-4-5(6)8(9)3-2-7-4/h2-3H,1H3
InChIKey
VGQODELBLOLFJW-UHFFFAOYSA-N
Compound name
2-chloro-3-methyl-1-oxidopyrazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.00903 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.016306 123.4
[M+Na]+ 166.998248 134.1
[M-H]- 143.001754 123.4
[M+NH4]+ 162.042853 142.4
[M+K]+ 182.972188 126.6
[M+H-H2O]+ 127.006290 122.8
[M+HCOO]- 189.007231 141.2
[M+CH3COO]- 203.022881 163.2
[M+Na-2H]- 164.983696 133.2
[M]+ 144.00848142 123.0
[M]- 144.00957858 123.0
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

No patent data available for this compound.