CID 104679365

3-(oxan-4-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C9H15NO2
SMILES
C1CNC(=O)C1C2CCOCC2
InChI
InChI=1S/C9H15NO2/c11-9-8(1-4-10-9)7-2-5-12-6-3-7/h7-8H,1-6H2,(H,10,11)
InChIKey
SRTILWDIYXONEZ-UHFFFAOYSA-N
Compound name
3-(oxan-4-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.11028 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 138.6
[M+Na]+ 192.09950 148.0
[M+NH4]+ 187.14410 146.8
[M+K]+ 208.07344 144.7
[M-H]- 168.10300 141.7
[M+Na-2H]- 190.08495 142.3
[M]+ 169.10973 140.4
[M]- 169.11083 140.4
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.