CID 470913

N-acetylpyrazine-2-carboxamide

Structural Information

Molecular Formula
C7H7N3O2
SMILES
CC(=O)NC(=O)C1=NC=CN=C1
InChI
InChI=1S/C7H7N3O2/c1-5(11)10-7(12)6-4-8-2-3-9-6/h2-4H,1H3,(H,10,11,12)
InChIKey
IANHBWVGXBMRAW-UHFFFAOYSA-N
Compound name
N-acetylpyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

165.05383 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06111 132.5
[M+Na]+ 188.04305 140.1
[M-H]- 164.04655 133.7
[M+NH4]+ 183.08765 149.9
[M+K]+ 204.01699 139.1
[M+H-H2O]+ 148.05109 125.0
[M+HCOO]- 210.05203 155.1
[M+CH3COO]- 224.06768 178.2
[M+Na-2H]- 186.02850 139.9
[M]+ 165.05328 132.0
[M]- 165.05438 132.0
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