CID 13145258

42182-25-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

136.06366 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.070936 125.8
[M+Na]+ 159.052878 134.2
[M-H]- 135.056384 128.1
[M+NH4]+ 154.097483 145.9
[M+K]+ 175.026818 132.7
[M+H-H2O]+ 119.060920 119.6
[M+HCOO]- 181.061861 149.6
[M+CH3COO]- 195.077511 175.1
[M+Na-2H]- 157.038326 132.5
[M]+ 136.06311142 124.2
[M]- 136.06420858 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