CID 55277849

2-(tert-butoxy)-5-chloropyrazine

Structural Information

Molecular Formula
C8H11ClN2O
SMILES
CC(C)(C)OC1=CN=C(C=N1)Cl
InChI
InChI=1S/C8H11ClN2O/c1-8(2,3)12-7-5-10-6(9)4-11-7/h4-5H,1-3H3
InChIKey
YPMVSPBMJNCRSA-UHFFFAOYSA-N
Compound name
2-chloro-5-[(2-methylpropan-2-yl)oxy]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.05598 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.06326 137.6
[M+Na]+ 209.04520 147.6
[M-H]- 185.04870 138.8
[M+NH4]+ 204.08980 156.0
[M+K]+ 225.01914 144.8
[M+H-H2O]+ 169.05324 131.5
[M+HCOO]- 231.05418 153.8
[M+CH3COO]- 245.06983 180.4
[M+Na-2H]- 207.03065 145.9
[M]+ 186.05543 141.2
[M]- 186.05653 141.2
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.