CID 103986135

2-(oxolan-3-yl)-1-(pyridin-3-yl)ethan-1-one

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1COCC1CC(=O)C2=CN=CC=C2
InChI
InChI=1S/C11H13NO2/c13-11(6-9-3-5-14-8-9)10-2-1-4-12-7-10/h1-2,4,7,9H,3,5-6,8H2
InChIKey
PSHVJMAQEYLOFZ-UHFFFAOYSA-N
Compound name
2-(oxolan-3-yl)-1-pyridin-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 141.0
[M+Na]+ 214.083858 146.8
[M-H]- 190.087364 146.4
[M+NH4]+ 209.128463 159.0
[M+K]+ 230.057798 146.1
[M+H-H2O]+ 174.091900 133.7
[M+HCOO]- 236.092841 161.7
[M+CH3COO]- 250.108491 180.3
[M+Na-2H]- 212.069306 145.7
[M]+ 191.09409142 139.6
[M]- 191.09518858 139.6
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.