CID 51432

71824-63-0

Structural Information

Molecular Formula
C13H15NO2
SMILES
CC1CC(C(=O)O1)(CC=C)C2=CC=CC=N2
InChI
InChI=1S/C13H15NO2/c1-3-7-13(9-10(2)16-12(13)15)11-6-4-5-8-14-11/h3-6,8,10H,1,7,9H2,2H3
InChIKey
GYLFBJBDBDENEA-UHFFFAOYSA-N
Compound name
5-methyl-3-prop-2-enyl-3-pyridin-2-yloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.11028 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 146.7
[M+Na]+ 240.09950 155.2
[M-H]- 216.10300 152.9
[M+NH4]+ 235.14410 166.4
[M+K]+ 256.07344 153.1
[M+H-H2O]+ 200.10754 140.3
[M+HCOO]- 262.10848 168.1
[M+CH3COO]- 276.12413 186.4
[M+Na-2H]- 238.08495 151.5
[M]+ 217.10973 147.1
[M]- 217.11083 147.1
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.