CID 71757610

3-amino-6-chloro-5-hydroxypyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C5H4ClN3O3
SMILES
C1(=C(NC(=O)C(=N1)Cl)N)C(=O)O
InChI
InChI=1S/C5H4ClN3O3/c6-2-4(10)9-3(7)1(8-2)5(11)12/h(H,11,12)(H3,7,9,10)
InChIKey
IYKYJCKRICQQSC-UHFFFAOYSA-N
Compound name
2-amino-5-chloro-6-oxo-1H-pyrazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

188.99413 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.00141 132.5
[M+Na]+ 211.98335 143.5
[M-H]- 187.98685 131.5
[M+NH4]+ 207.02795 148.8
[M+K]+ 227.95729 139.1
[M+H-H2O]+ 171.99139 127.1
[M+HCOO]- 233.99233 148.6
[M+CH3COO]- 248.00798 176.9
[M+Na-2H]- 209.96880 137.3
[M]+ 188.99358 131.7
[M]- 188.99468 131.7
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