CID 10986366

2-chloro-5-methoxypyrazine

Structural Information

Molecular Formula
C5H5ClN2O
SMILES
COC1=CN=C(C=N1)Cl
InChI
InChI=1S/C5H5ClN2O/c1-9-5-3-7-4(6)2-8-5/h2-3H,1H3
InChIKey
TXEDKXSWNOQSKG-UHFFFAOYSA-N
Compound name
2-chloro-5-methoxypyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

144.00903 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.01631 122.3
[M+Na]+ 166.99825 133.1
[M-H]- 143.00175 123.6
[M+NH4]+ 162.04285 142.2
[M+K]+ 182.97219 130.7
[M+H-H2O]+ 127.00629 116.2
[M+HCOO]- 189.00723 141.1
[M+CH3COO]- 203.02288 171.7
[M+Na-2H]- 164.98370 131.7
[M]+ 144.00848 125.4
[M]- 144.00958 125.4
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