CID 6475964

[(e)-but-1-enyl] 5-chloropyrazine-2-carboxylate

Structural Information

Molecular Formula
C9H9ClN2O2
SMILES
CC/C=C/OC(=O)C1=CN=C(C=N1)Cl
InChI
InChI=1S/C9H9ClN2O2/c1-2-3-4-14-9(13)7-5-12-8(10)6-11-7/h3-6H,2H2,1H3/b4-3+
InChIKey
GZTLTQHSKROSGT-ONEGZZNKSA-N
Compound name
[(E)-but-1-enyl] 5-chloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.03525 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04253 141.8
[M+Na]+ 235.02447 151.3
[M-H]- 211.02797 142.7
[M+NH4]+ 230.06907 158.9
[M+K]+ 250.99841 147.6
[M+H-H2O]+ 195.03251 135.0
[M+HCOO]- 257.03345 159.0
[M+CH3COO]- 271.04910 183.4
[M+Na-2H]- 233.00992 147.8
[M]+ 212.03470 145.6
[M]- 212.03580 145.6
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.