CID 66869530

Methyl 5-(hydroxymethyl)pyrazine-2-carboxylate

Structural Information

Molecular Formula
C7H8N2O3
SMILES
COC(=O)C1=NC=C(N=C1)CO
InChI
InChI=1S/C7H8N2O3/c1-12-7(11)6-3-8-5(4-10)2-9-6/h2-3,10H,4H2,1H3
InChIKey
CCQQDZWMZNJQFH-UHFFFAOYSA-N
Compound name
methyl 5-(hydroxymethyl)pyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

168.0535 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 132.5
[M+Na]+ 191.04272 141.3
[M-H]- 167.04622 132.5
[M+NH4]+ 186.08732 149.7
[M+K]+ 207.01666 140.1
[M+H-H2O]+ 151.05076 125.5
[M+HCOO]- 213.05170 153.5
[M+CH3COO]- 227.06735 174.6
[M+Na-2H]- 189.02817 139.4
[M]+ 168.05295 134.1
[M]- 168.05405 134.1
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