CID 104247785

1566044-82-3

Structural Information

Molecular Formula
C12H17NO3
SMILES
COC(CN1C2=C(CCC2)C=CC1=O)OC
InChI
InChI=1S/C12H17NO3/c1-15-12(16-2)8-13-10-5-3-4-9(10)6-7-11(13)14/h6-7,12H,3-5,8H2,1-2H3
InChIKey
IOPJREUCVYADEL-UHFFFAOYSA-N
Compound name
1-(2,2-dimethoxyethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.12085 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 148.6
[M+Na]+ 246.11007 156.7
[M-H]- 222.11357 151.8
[M+NH4]+ 241.15467 168.7
[M+K]+ 262.08401 155.0
[M+H-H2O]+ 206.11811 142.1
[M+HCOO]- 268.11905 169.9
[M+CH3COO]- 282.13470 189.2
[M+Na-2H]- 244.09552 152.3
[M]+ 223.12030 152.0
[M]- 223.12140 152.0
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.