CID 6452119

3,5-diamino-6-chloropyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C5H5ClN4O2
SMILES
C1(=C(N=C(C(=N1)Cl)N)N)C(=O)O
InChI
InChI=1S/C5H5ClN4O2/c6-2-4(8)10-3(7)1(9-2)5(11)12/h(H,11,12)(H4,7,8,10)
InChIKey
OCSQJDAUOOHJEI-UHFFFAOYSA-N
Compound name
3,5-diamino-6-chloropyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

270
Patents

188.0101 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.01738 133.9
[M+Na]+ 210.99932 145.1
[M+NH4]+ 206.04392 140.1
[M+K]+ 226.97326 141.7
[M-H]- 187.00282 134.0
[M+Na-2H]- 208.98477 138.6
[M]+ 188.00955 135.4
[M]- 188.01065 135.4
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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