CID 343271

3-amino-5,6-dichloropyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C5H3Cl2N3O2
SMILES
C1(=C(N=C(C(=N1)Cl)Cl)N)C(=O)O
InChI
InChI=1S/C5H3Cl2N3O2/c6-2-3(7)10-4(8)1(9-2)5(11)12/h(H2,8,10)(H,11,12)
InChIKey
UFOUSHWZVOIJKK-UHFFFAOYSA-N
Compound name
3-amino-5,6-dichloropyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

206.96024 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.96752 134.6
[M+Na]+ 229.94946 146.0
[M-H]- 205.95296 134.1
[M+NH4]+ 224.99406 151.4
[M+K]+ 245.92340 141.3
[M+H-H2O]+ 189.95750 129.7
[M+HCOO]- 251.95844 146.6
[M+CH3COO]- 265.97409 182.6
[M+Na-2H]- 227.93491 139.2
[M]+ 206.95969 135.9
[M]- 206.96079 135.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe