CID 818291

54409-13-1

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

31
Patents

153.05383 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.061106 129.1
[M+Na]+ 176.043048 137.4
[M-H]- 152.046554 129.2
[M+NH4]+ 171.087653 146.5
[M+K]+ 192.016988 135.9
[M+H-H2O]+ 136.051090 122.0
[M+HCOO]- 198.052031 151.2
[M+CH3COO]- 212.067681 175.1
[M+Na-2H]- 174.028496 136.9
[M]+ 153.05328142 128.2
[M]- 153.05437858 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