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]+ 187.063256 137.6
[M+Na]+ 209.045198 147.6
[M-H]- 185.048704 138.8
[M+NH4]+ 204.089803 156.0
[M+K]+ 225.019138 144.8
[M+H-H2O]+ 169.053240 131.5
[M+HCOO]- 231.054181 153.8
[M+CH3COO]- 245.069831 180.4
[M+Na-2H]- 207.030646 145.9
[M]+ 186.05543142 141.2
[M]- 186.05652858 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.