CID 465056

2-methylpropyl pyrazine-2-carboxylate

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CC(C)COC(=O)C1=NC=CN=C1
InChI
InChI=1S/C9H12N2O2/c1-7(2)6-13-9(12)8-5-10-3-4-11-8/h3-5,7H,6H2,1-2H3
InChIKey
USUPZWMFSOZLLN-UHFFFAOYSA-N
Compound name
2-methylpropyl pyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

180.08987 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 138.4
[M+Na]+ 203.07909 145.7
[M-H]- 179.08259 139.2
[M+NH4]+ 198.12369 155.6
[M+K]+ 219.05303 144.9
[M+H-H2O]+ 163.08713 130.8
[M+HCOO]- 225.08807 159.1
[M+CH3COO]- 239.10372 180.9
[M+Na-2H]- 201.06454 144.4
[M]+ 180.08932 140.2
[M]- 180.09042 140.2
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