CID 5714557

Ccg-49202

Structural Information

Molecular Formula
C10H8N4O3
SMILES
C/C(=C\C#N)/NC(=O)C1=NC=CN=C1C(=O)O
InChI
InChI=1S/C10H8N4O3/c1-6(2-3-11)14-9(15)7-8(10(16)17)13-5-4-12-7/h2,4-5H,1H3,(H,14,15)(H,16,17)/b6-2+
InChIKey
MFMDTPNRODRBBK-QHHAFSJGSA-N
Compound name
3-[[(E)-1-cyanoprop-1-en-2-yl]carbamoyl]pyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

232.05965 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.066926 152.1
[M+Na]+ 255.048868 159.8
[M-H]- 231.052374 151.0
[M+NH4]+ 250.093473 164.0
[M+K]+ 271.022808 157.8
[M+H-H2O]+ 215.056910 137.4
[M+HCOO]- 277.057851 167.8
[M+CH3COO]- 291.073501 200.9
[M+Na-2H]- 253.034316 154.7
[M]+ 232.05910142 145.7
[M]- 232.06019858 145.7
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

No patent data available for this compound.