CID 4182709

3-(pyrazin-2-ylformamido)propanoic acid

Structural Information

Molecular Formula
C8H9N3O3
SMILES
C1=CN=C(C=N1)C(=O)NCCC(=O)O
InChI
InChI=1S/C8H9N3O3/c12-7(13)1-2-11-8(14)6-5-9-3-4-10-6/h3-5H,1-2H2,(H,11,14)(H,12,13)
InChIKey
KLAJDQUTWPPIMV-UHFFFAOYSA-N
Compound name
3-(pyrazine-2-carbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

195.06439 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07167 140.1
[M+Na]+ 218.05361 146.6
[M-H]- 194.05711 139.6
[M+NH4]+ 213.09821 155.3
[M+K]+ 234.02755 145.0
[M+H-H2O]+ 178.06165 132.3
[M+HCOO]- 240.06259 161.0
[M+CH3COO]- 254.07824 181.5
[M+Na-2H]- 216.03906 146.4
[M]+ 195.06384 139.5
[M]- 195.06494 139.5
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