CID 13153469

Methyl 3-methylpyrazine-2-carboxylate

Structural Information

Molecular Formula
C7H8N2O2
SMILES
CC1=NC=CN=C1C(=O)OC
InChI
InChI=1S/C7H8N2O2/c1-5-6(7(10)11-2)9-4-3-8-5/h3-4H,1-2H3
InChIKey
AUDOINDPGADJPY-UHFFFAOYSA-N
Compound name
methyl 3-methylpyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

152.05858 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.065856 128.7
[M+Na]+ 175.047798 138.0
[M-H]- 151.051304 130.1
[M+NH4]+ 170.092403 147.4
[M+K]+ 191.021738 137.3
[M+H-H2O]+ 135.055840 121.7
[M+HCOO]- 197.056781 151.0
[M+CH3COO]- 211.072431 175.1
[M+Na-2H]- 173.033246 136.2
[M]+ 152.05803142 130.8
[M]- 152.05912858 130.8
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