CID 10820581

2-amino-1-(pyridin-3-yl)ethanone

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

143
Patents

136.06366 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.070936 126.0
[M+Na]+ 159.052878 133.5
[M-H]- 135.056384 128.0
[M+NH4]+ 154.097483 145.7
[M+K]+ 175.026818 131.9
[M+H-H2O]+ 119.060920 119.5
[M+HCOO]- 181.061861 149.8
[M+CH3COO]- 195.077511 174.0
[M+Na-2H]- 157.038326 133.5
[M]+ 136.06311142 124.1
[M]- 136.06420858 124.1
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