CID 10820581

51746-82-8

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1=CC(=CN=C1)C(=O)CN
InChI
InChI=1S/C7H8N2O/c8-4-7(10)6-2-1-3-9-5-6/h1-3,5H,4,8H2
InChIKey
RGUUBRUFWMBQOW-UHFFFAOYSA-N
Compound name
2-amino-1-pyridin-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

136.06366 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 126.4
[M+Na]+ 159.05288 138.2
[M+NH4]+ 154.09748 134.5
[M+K]+ 175.02682 132.7
[M-H]- 135.05638 128.1
[M+Na-2H]- 157.03833 133.6
[M]+ 136.06311 128.4
[M]- 136.06421 128.4
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