CID 51433

71824-64-1

Structural Information

Molecular Formula
C13H17NO2
SMILES
CCCC1(CC(OC1=O)C)C2=CC=CC=N2
InChI
InChI=1S/C13H17NO2/c1-3-7-13(9-10(2)16-12(13)15)11-6-4-5-8-14-11/h4-6,8,10H,3,7,9H2,1-2H3
InChIKey
DSCBNRKPZTXASX-UHFFFAOYSA-N
Compound name
5-methyl-3-propyl-3-pyridin-2-yloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 149.5
[M+Na]+ 242.11515 162.0
[M+NH4]+ 237.15975 159.0
[M+K]+ 258.08909 155.4
[M-H]- 218.11865 153.6
[M+Na-2H]- 240.10060 156.9
[M]+ 219.12538 152.6
[M]- 219.12648 152.6
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.