CID 24688978

2-chloro-6-(2-methylpropoxy)pyrazine

Structural Information

Molecular Formula
C8H11ClN2O
SMILES
CC(C)COC1=CN=CC(=N1)Cl
InChI
InChI=1S/C8H11ClN2O/c1-6(2)5-12-8-4-10-3-7(9)11-8/h3-4,6H,5H2,1-2H3
InChIKey
SDCKYWPFPKFGLU-UHFFFAOYSA-N
Compound name
2-chloro-6-(2-methylpropoxy)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

186.05598 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.063256 136.2
[M+Na]+ 209.045198 145.4
[M-H]- 185.048704 137.0
[M+NH4]+ 204.089803 154.4
[M+K]+ 225.019138 142.6
[M+H-H2O]+ 169.053240 129.6
[M+HCOO]- 231.054181 153.0
[M+CH3COO]- 245.069831 181.5
[M+Na-2H]- 207.030646 142.7
[M]+ 186.05543142 139.8
[M]- 186.05652858 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

patents stripe