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]+ 192.10192 141.0
[M+Na]+ 214.08386 146.8
[M-H]- 190.08736 146.4
[M+NH4]+ 209.12846 159.0
[M+K]+ 230.05780 146.1
[M+H-H2O]+ 174.09190 133.7
[M+HCOO]- 236.09284 161.7
[M+CH3COO]- 250.10849 180.3
[M+Na-2H]- 212.06931 145.7
[M]+ 191.09409 139.6
[M]- 191.09519 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.