CID 1282536

6-(dimethylamino)pyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C7H9N3O2
SMILES
CN(C)C1=NC(=CN=C1)C(=O)O
InChI
InChI=1S/C7H9N3O2/c1-10(2)6-4-8-3-5(9-6)7(11)12/h3-4H,1-2H3,(H,11,12)
InChIKey
RFADYEKKBJUDBE-UHFFFAOYSA-N
Compound name
6-(dimethylamino)pyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

167.06947 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.076746 133.0
[M+Na]+ 190.058688 141.1
[M-H]- 166.062194 134.5
[M+NH4]+ 185.103293 150.6
[M+K]+ 206.032628 140.7
[M+H-H2O]+ 150.066730 125.7
[M+HCOO]- 212.067671 155.4
[M+CH3COO]- 226.083321 181.6
[M+Na-2H]- 188.044136 139.7
[M]+ 167.06892142 133.8
[M]- 167.07001858 133.8
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