CID 21827816

51460-32-3

Structural Information

Molecular Formula
C7H8N2O
SMILES
CC(=O)C1=NC=C(C=C1)N
InChI
InChI=1S/C7H8N2O/c1-5(10)7-3-2-6(8)4-9-7/h2-4H,8H2,1H3
InChIKey
YUSDJXUPLQYFJW-UHFFFAOYSA-N
Compound name
1-(5-aminopyridin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

136.06366 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 125.8
[M+Na]+ 159.05288 134.2
[M-H]- 135.05638 128.1
[M+NH4]+ 154.09748 145.9
[M+K]+ 175.02682 132.7
[M+H-H2O]+ 119.06092 119.6
[M+HCOO]- 181.06186 149.6
[M+CH3COO]- 195.07751 175.1
[M+Na-2H]- 157.03833 132.5
[M]+ 136.06311 124.2
[M]- 136.06421 124.2
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