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

117
Patents

144.00903 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.016306 122.3
[M+Na]+ 166.998248 133.1
[M-H]- 143.001754 123.6
[M+NH4]+ 162.042853 142.2
[M+K]+ 182.972188 130.7
[M+H-H2O]+ 127.006290 116.2
[M+HCOO]- 189.007231 141.1
[M+CH3COO]- 203.022881 171.7
[M+Na-2H]- 164.983696 131.7
[M]+ 144.00848142 125.4
[M]- 144.00957858 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