CID 53428719

Ethyl 3,5,6-trimethylpyrazine-2-carboxylate

Structural Information

Molecular Formula
C10H14N2O2
SMILES
CCOC(=O)C1=NC(=C(N=C1C)C)C
InChI
InChI=1S/C10H14N2O2/c1-5-14-10(13)9-8(4)11-6(2)7(3)12-9/h5H2,1-4H3
InChIKey
NSRHACOOXVHWPK-UHFFFAOYSA-N
Compound name
ethyl 3,5,6-trimethylpyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

194.10553 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.112806 141.5
[M+Na]+ 217.094748 151.5
[M-H]- 193.098254 143.2
[M+NH4]+ 212.139353 159.2
[M+K]+ 233.068688 150.0
[M+H-H2O]+ 177.102790 134.5
[M+HCOO]- 239.103731 162.8
[M+CH3COO]- 253.119381 186.5
[M+Na-2H]- 215.080196 146.0
[M]+ 194.10498142 145.5
[M]- 194.10607858 145.5
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

patents stripe