CID 61699629

2-chloro-3-(2-methylpropoxy)pyrazine

Structural Information

Molecular Formula
C8H11ClN2O
SMILES
CC(C)COC1=NC=CN=C1Cl
InChI
InChI=1S/C8H11ClN2O/c1-6(2)5-12-8-7(9)10-3-4-11-8/h3-4,6H,5H2,1-2H3
InChIKey
GAXNYADKHHNVIC-UHFFFAOYSA-N
Compound name
2-chloro-3-(2-methylpropoxy)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.05598 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.06326 136.2
[M+Na]+ 209.04520 145.4
[M-H]- 185.04870 137.0
[M+NH4]+ 204.08980 154.4
[M+K]+ 225.01914 142.6
[M+H-H2O]+ 169.05324 129.6
[M+HCOO]- 231.05418 153.0
[M+CH3COO]- 245.06983 181.5
[M+Na-2H]- 207.03065 142.7
[M]+ 186.05543 139.8
[M]- 186.05653 139.8
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

No patent data available for this compound.