CID 12711131

65326-33-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

136.06366 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 126.2
[M+Na]+ 159.05288 138.4
[M+NH4]+ 154.09748 134.3
[M+K]+ 175.02682 133.1
[M-H]- 135.05638 127.9
[M+Na-2H]- 157.03833 133.1
[M]+ 136.06311 128.2
[M]- 136.06421 128.2
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

patents stripe