CID 406083

Tert-butyl 5-chloropyrazine-2-carboxylate

Structural Information

Molecular Formula
C9H11ClN2O2
SMILES
CC(C)(C)OC(=O)C1=CN=C(C=N1)Cl
InChI
InChI=1S/C9H11ClN2O2/c1-9(2,3)14-8(13)6-4-12-7(10)5-11-6/h4-5H,1-3H3
InChIKey
HVVYCXYNSSYJOR-UHFFFAOYSA-N
Compound name
tert-butyl 5-chloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

40
Patents

214.0509 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.05818 143.4
[M+Na]+ 237.04012 153.1
[M-H]- 213.04362 144.7
[M+NH4]+ 232.08472 160.6
[M+K]+ 253.01406 150.4
[M+H-H2O]+ 197.04816 137.2
[M+HCOO]- 259.04910 158.8
[M+CH3COO]- 273.06475 184.6
[M+Na-2H]- 235.02557 150.1
[M]+ 214.05035 147.5
[M]- 214.05145 147.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe