CID 117213079

5-carbamoylpyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C6H5N3O3
SMILES
C1=C(N=CC(=N1)C(=O)O)C(=O)N
InChI
InChI=1S/C6H5N3O3/c7-5(10)3-1-9-4(2-8-3)6(11)12/h1-2H,(H2,7,10)(H,11,12)
InChIKey
ZIMOOJPJWDBGGB-UHFFFAOYSA-N
Compound name
5-carbamoylpyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

167.0331 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.04038 131.2
[M+Na]+ 190.02232 139.5
[M-H]- 166.02582 131.0
[M+NH4]+ 185.06692 147.6
[M+K]+ 205.99626 138.0
[M+H-H2O]+ 150.03036 124.2
[M+HCOO]- 212.03130 152.2
[M+CH3COO]- 226.04695 176.7
[M+Na-2H]- 188.00777 136.8
[M]+ 167.03255 129.4
[M]- 167.03365 129.4
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