CID 3015101

20971-79-3

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1CC(=O)OC1C2=CN=CC=C2
InChI
InChI=1S/C9H9NO2/c11-9-4-3-8(12-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2
InChIKey
TUQJJRAPYHGKLP-UHFFFAOYSA-N
Compound name
5-pyridin-3-yloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

163.06332 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 130.8
[M+Na]+ 186.05254 138.8
[M-H]- 162.05604 136.9
[M+NH4]+ 181.09714 150.4
[M+K]+ 202.02648 138.1
[M+H-H2O]+ 146.06058 124.2
[M+HCOO]- 208.06152 153.3
[M+CH3COO]- 222.07717 174.5
[M+Na-2H]- 184.03799 137.2
[M]+ 163.06277 129.7
[M]- 163.06387 129.7
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.