CID 13153468

3-methylpyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C6H6N2O2
SMILES
CC1=NC=CN=C1C(=O)O
InChI
InChI=1S/C6H6N2O2/c1-4-5(6(9)10)8-3-2-7-4/h2-3H,1H3,(H,9,10)
InChIKey
DEDJQZNLAXYJBT-UHFFFAOYSA-N
Compound name
3-methylpyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

491
Patents

138.04292 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.050196 124.8
[M+Na]+ 161.032138 134.0
[M-H]- 137.035644 124.9
[M+NH4]+ 156.076743 143.2
[M+K]+ 177.006078 132.6
[M+H-H2O]+ 121.040180 118.2
[M+HCOO]- 183.041121 145.9
[M+CH3COO]- 197.056771 170.1
[M+Na-2H]- 159.017586 132.3
[M]+ 138.04237142 124.7
[M]- 138.04346858 124.7
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