CID 5358055

5h-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

Structural Information

Molecular Formula
C7H5N3O2
SMILES
C1=CN=C2C(=N1)C(=CN2)C(=O)O
InChI
InChI=1S/C7H5N3O2/c11-7(12)4-3-10-6-5(4)8-1-2-9-6/h1-3H,(H,9,10)(H,11,12)
InChIKey
JNXHWZHCSSQBRN-UHFFFAOYSA-N
Compound name
5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

43
Patents

163.03818 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.04546 129.7
[M+Na]+ 186.02740 140.5
[M-H]- 162.03090 128.6
[M+NH4]+ 181.07200 147.9
[M+K]+ 202.00134 137.0
[M+H-H2O]+ 146.03544 122.8
[M+HCOO]- 208.03638 149.8
[M+CH3COO]- 222.05203 142.9
[M+Na-2H]- 184.01285 137.7
[M]+ 163.03763 129.7
[M]- 163.03873 129.7
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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