CID 122708

2-(dimethylamino)ethyl pyrazinoate

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CN(C)CCOC(=O)C1=NC=CN=C1
InChI
InChI=1S/C9H13N3O2/c1-12(2)5-6-14-9(13)8-7-10-3-4-11-8/h3-4,7H,5-6H2,1-2H3
InChIKey
IFZIGCDSWUQJSC-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl pyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

195.10077 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 142.1
[M+Na]+ 218.08999 148.8
[M-H]- 194.09349 144.2
[M+NH4]+ 213.13459 158.9
[M+K]+ 234.06393 148.9
[M+H-H2O]+ 178.09803 133.7
[M+HCOO]- 240.09897 165.3
[M+CH3COO]- 254.11462 188.4
[M+Na-2H]- 216.07544 148.9
[M]+ 195.10022 145.0
[M]- 195.10132 145.0
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