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]+ 220.133206 147.9
[M+Na]+ 242.115148 156.0
[M-H]- 218.118654 154.0
[M+NH4]+ 237.159753 167.6
[M+K]+ 258.089088 154.5
[M+H-H2O]+ 202.123190 141.4
[M+HCOO]- 264.124131 169.0
[M+CH3COO]- 278.139781 187.2
[M+Na-2H]- 240.100596 152.6
[M]+ 219.12538142 149.0
[M]- 219.12647858 149.0
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.