CID 227355

5453-91-8

Structural Information

Molecular Formula
C10H12N2O2
SMILES
CC(=O)NC1=CC(=O)NC2=C1CCC2
InChI
InChI=1S/C10H12N2O2/c1-6(13)11-9-5-10(14)12-8-4-2-3-7(8)9/h5H,2-4H2,1H3,(H2,11,12,13,14)
InChIKey
KXSIHOGLYOOZMO-UHFFFAOYSA-N
Compound name
N-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08987 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 139.5
[M+Na]+ 215.07909 147.7
[M-H]- 191.08259 141.7
[M+NH4]+ 210.12369 159.8
[M+K]+ 231.05303 144.4
[M+H-H2O]+ 175.08713 133.5
[M+HCOO]- 237.08807 161.0
[M+CH3COO]- 251.10372 181.9
[M+Na-2H]- 213.06454 144.3
[M]+ 192.08932 137.4
[M]- 192.09042 137.4
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

No patent data available for this compound.