CID 11126456

5,6-dimethylpyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O2
SMILES
CC1=NC=C(N=C1C)C(=O)O
InChI
InChI=1S/C7H8N2O2/c1-4-5(2)9-6(3-8-4)7(10)11/h3H,1-2H3,(H,10,11)
InChIKey
HNFVMVJWZHNDNF-UHFFFAOYSA-N
Compound name
5,6-dimethylpyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

112
Patents

152.05858 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 130.0
[M+Na]+ 175.04780 142.9
[M+NH4]+ 170.09240 137.0
[M+K]+ 191.02174 138.3
[M-H]- 151.05130 129.9
[M+Na-2H]- 173.03325 135.9
[M]+ 152.05803 131.6
[M]- 152.05913 131.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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