CID 44515461

Methyl 5-formylpyrazine-2-carboxylate

Structural Information

Molecular Formula
C7H6N2O3
SMILES
COC(=O)C1=NC=C(N=C1)C=O
InChI
InChI=1S/C7H6N2O3/c1-12-7(11)6-3-8-5(4-10)2-9-6/h2-4H,1H3
InChIKey
KNAAFIKYVYERNG-UHFFFAOYSA-N
Compound name
methyl 5-formylpyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

166.03784 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.04512 130.2
[M+Na]+ 189.02706 139.8
[M-H]- 165.03056 131.7
[M+NH4]+ 184.07166 148.2
[M+K]+ 205.00100 138.9
[M+H-H2O]+ 149.03510 123.1
[M+HCOO]- 211.03604 152.9
[M+CH3COO]- 225.05169 176.3
[M+Na-2H]- 187.01251 137.8
[M]+ 166.03729 133.0
[M]- 166.03839 133.0
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