CID 818291

6-(methylamino)pyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C6H7N3O2
SMILES
CNC1=NC(=CN=C1)C(=O)O
InChI
InChI=1S/C6H7N3O2/c1-7-5-3-8-2-4(9-5)6(10)11/h2-3H,1H3,(H,7,9)(H,10,11)
InChIKey
OAJBFQZGHAGOAJ-UHFFFAOYSA-N
Compound name
6-(methylamino)pyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

153.05383 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06111 129.1
[M+Na]+ 176.04305 137.4
[M-H]- 152.04655 129.2
[M+NH4]+ 171.08765 146.5
[M+K]+ 192.01699 135.9
[M+H-H2O]+ 136.05109 122.0
[M+HCOO]- 198.05203 151.2
[M+CH3COO]- 212.06768 175.1
[M+Na-2H]- 174.02850 136.9
[M]+ 153.05328 128.2
[M]- 153.05438 128.2
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