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]+ 145.01631 123.4
[M+Na]+ 166.99825 134.1
[M-H]- 143.00175 123.4
[M+NH4]+ 162.04285 142.4
[M+K]+ 182.97219 126.6
[M+H-H2O]+ 127.00629 122.8
[M+HCOO]- 189.00723 141.2
[M+CH3COO]- 203.02288 163.2
[M+Na-2H]- 164.98370 133.2
[M]+ 144.00848 123.0
[M]- 144.00958 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.