CID 14286223

Ns00000804

Structural Information

Molecular Formula
C10H12N2O
SMILES
CN1CC(=O)CC1C2=CN=CC=C2
InChI
InChI=1S/C10H12N2O/c1-12-7-9(13)5-10(12)8-3-2-4-11-6-8/h2-4,6,10H,5,7H2,1H3
InChIKey
DOHZNHZHDHMXQB-UHFFFAOYSA-N
Compound name
1-methyl-5-pyridin-3-ylpyrrolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.09496 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.102236 137.1
[M+Na]+ 199.084178 145.5
[M-H]- 175.087684 141.2
[M+NH4]+ 194.128783 156.4
[M+K]+ 215.058118 142.9
[M+H-H2O]+ 159.092220 129.3
[M+HCOO]- 221.093161 158.5
[M+CH3COO]- 235.108811 179.4
[M+Na-2H]- 197.069626 141.2
[M]+ 176.09441142 135.2
[M]- 176.09550858 135.2
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

No patent data available for this compound.